NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
443882 |
2kfu   |
16248 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kfu
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1302
_Distance_constraint_stats_list.Viol_count 2959
_Distance_constraint_stats_list.Viol_total 12298.089
_Distance_constraint_stats_list.Viol_max 2.717
_Distance_constraint_stats_list.Viol_rms 0.1320
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0262
_Distance_constraint_stats_list.Viol_average_violations_only 0.2187
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 21 THR 2.154 0.264 9 0 "[ . 1 . ]"
1 23 SER 13.275 1.150 15 9 "[* .** **-** + ]"
1 24 VAL 16.917 1.150 15 9 "[* .** **-** + ]"
1 25 PHE 8.823 1.385 3 1 "[ + . 1 . ]"
1 26 ARG 5.236 0.823 16 4 "[ * . - 1 *.+ ]"
1 27 ALA 5.736 0.324 16 0 "[ . 1 . ]"
1 28 ASP 5.399 0.324 16 0 "[ . 1 . ]"
1 29 PHE 7.266 0.897 11 4 "[ * . - 1+ . * ]"
1 30 LEU 1.328 0.342 2 0 "[ . 1 . ]"
1 31 SER 1.557 0.342 2 0 "[ . 1 . ]"
1 32 GLU 7.152 0.823 16 5 "[ * * - 1 *.+ ]"
1 33 LEU 6.452 0.315 12 0 "[ . 1 . ]"
1 34 ASP 4.964 0.315 12 0 "[ . 1 . ]"
1 47 GLY 1.786 0.299 5 0 "[ . 1 . ]"
1 48 VAL 4.694 0.367 6 0 "[ . 1 . ]"
1 49 GLU 9.635 1.678 2 6 "[ +* . * * -.* ]"
1 50 GLY 0.216 0.066 12 0 "[ . 1 . ]"
1 51 LEU 31.045 1.678 2 11 "[*+**. * *- * *.* *]"
1 52 PRO 9.937 2.208 14 8 "[** ** 1- *+. * ]"
1 53 PRO 11.391 1.262 19 7 "[ * *. *- * .* +]"
1 54 GLY 1.332 0.465 5 0 "[ . 1 . ]"
1 55 SER 12.523 1.512 4 6 "[ -+. 1* ** *]"
1 56 ALA 1.403 0.286 5 0 "[ . 1 . ]"
1 57 LEU 11.871 0.446 4 0 "[ . 1 . ]"
1 58 LEU 15.469 0.338 2 0 "[ . 1 . ]"
1 59 VAL 4.132 0.287 16 0 "[ . 1 . ]"
1 60 VAL 17.399 0.608 10 8 "[ *. *-+ * . ***]"
1 61 LYS 2.447 0.185 5 0 "[ . 1 . ]"
1 62 ARG 2.411 0.250 16 0 "[ . 1 . ]"
1 63 GLY 7.009 0.681 3 2 "[ + . - 1 . ]"
1 64 PRO 16.015 0.681 3 4 "[ + . -*1 *. ]"
1 65 ASN 16.886 0.821 8 10 "[** -* +*1 ** . ** ]"
1 66 ALA 17.016 0.398 16 0 "[ . 1 . ]"
1 67 GLY 0.002 0.002 1 0 "[ . 1 . ]"
1 68 SER 24.379 0.821 8 12 "[** ** +-* ** . ***]"
1 69 ARG 4.806 0.494 8 0 "[ . 1 . ]"
1 70 PHE 14.529 0.589 8 1 "[ . + 1 . ]"
1 71 LEU 30.133 1.512 4 8 "[ *+. 1* *** *-]"
1 72 LEU 31.215 2.234 15 18 "[**-******** **+****]"
1 73 ASP 10.942 1.178 15 8 "[ **. 1* *+* *-]"
1 74 GLN 9.364 0.551 1 3 "[+ * . 1 - . ]"
1 75 ALA 0.896 0.107 9 0 "[ . 1 . ]"
1 76 ILE 5.445 0.305 12 0 "[ . 1 . ]"
1 77 THR 5.680 0.218 16 0 "[ . 1 . ]"
1 78 SER 13.567 2.165 11 5 "[ * 1+- ** ]"
1 79 ALA 1.610 0.159 8 0 "[ . 1 . ]"
1 80 GLY 10.663 0.772 16 4 "[ * 1 - *+ ]"
1 81 ARG 37.111 2.688 7 13 "[ ****+ ******-* ]"
1 82 HIS 27.996 1.192 15 11 "[ *** -****+** ]"
1 83 PRO 4.053 0.875 13 1 "[ . 1 + . ]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 85 SER 3.866 0.364 4 0 "[ . 1 . ]"
1 86 ASP 0.451 0.111 16 0 "[ . 1 . ]"
1 87 ILE 20.993 0.359 16 0 "[ . 1 . ]"
1 88 PHE 4.981 0.230 15 0 "[ . 1 . ]"
1 89 LEU 10.732 0.608 10 2 "[ . + . - ]"
1 90 ASP 0.355 0.116 1 0 "[ . 1 . ]"
1 91 ASP 7.869 0.478 8 0 "[ . 1 . ]"
1 92 VAL 4.828 0.478 8 0 "[ . 1 . ]"
1 93 THR 11.971 0.398 16 0 "[ . 1 . ]"
1 94 VAL 1.476 0.258 14 0 "[ . 1 . ]"
1 95 SER 0.204 0.032 8 0 "[ . 1 . ]"
1 96 ARG 67.690 2.688 7 13 "[ ****+ ******-* ]"
1 97 ARG 16.229 0.884 11 8 "[ * * * -+* ** ]"
1 98 HIS 23.746 1.667 15 9 "[ ***. * * -**+ ]"
1 99 ALA 7.158 0.330 11 0 "[ . 1 . ]"
1 100 GLU 4.655 0.237 4 0 "[ . 1 . ]"
1 101 PHE 49.233 2.234 15 18 "[*******-*** **+****]"
1 102 ARG 18.516 0.404 10 0 "[ . 1 . ]"
1 103 LEU 12.523 0.453 12 0 "[ . 1 . ]"
1 104 GLU 1.086 0.277 19 0 "[ . 1 . ]"
1 105 ASN 1.049 0.277 19 0 "[ . 1 . ]"
1 106 ASN 11.871 0.453 12 0 "[ . 1 . ]"
1 107 GLU 19.358 1.553 12 14 "[ *******1 + *-****]"
1 108 PHE 13.050 1.126 8 2 "[ . + 1 - ]"
1 109 ASN 7.107 1.104 15 2 "[ . - 1 + ]"
1 110 VAL 1.658 0.323 15 0 "[ . 1 . ]"
1 111 VAL 16.400 1.667 15 10 "[ ***. * * ***+ -]"
1 112 ASP 1.822 0.537 8 1 "[ . + 1 . ]"
1 113 VAL 6.199 0.498 16 0 "[ . 1 . ]"
1 114 GLY 6.158 0.498 16 0 "[ . 1 . ]"
1 115 SER 1.035 0.411 1 0 "[ . 1 . ]"
1 116 LEU 3.246 0.195 1 0 "[ . 1 . ]"
1 117 ASN 66.061 2.717 13 19 [*-**********+******]
1 118 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 119 THR 1.046 0.157 1 0 "[ . 1 . ]"
1 120 TYR 0.642 0.096 8 0 "[ . 1 . ]"
1 121 VAL 1.460 0.293 11 0 "[ . 1 . ]"
1 122 ASN 1.013 0.129 1 0 "[ . 1 . ]"
1 123 ARG 2.955 0.756 10 3 "[ . - + * ]"
1 124 GLU 3.131 0.713 1 2 "[+ -. 1 . ]"
1 125 PRO 0.011 0.011 2 0 "[ . 1 . ]"
1 126 VAL 3.676 0.713 1 2 "[+ -. 1 . ]"
1 127 ASP 3.068 0.480 13 0 "[ . 1 . ]"
1 128 SER 6.401 0.480 13 0 "[ . 1 . ]"
1 129 ALA 1.740 0.209 3 0 "[ . 1 . ]"
1 130 VAL 0.168 0.092 13 0 "[ . 1 . ]"
1 131 LEU 33.322 1.553 12 14 "[ *******1 + *-****]"
1 132 ALA 4.557 0.682 8 1 "[ . + 1 . ]"
1 133 ASN 2.986 1.152 1 2 "[+ - . 1 . ]"
1 134 GLY 0.222 0.123 13 0 "[ . 1 . ]"
1 135 ASP 2.124 0.682 8 1 "[ . + 1 . ]"
1 136 GLU 11.657 1.303 11 10 "[ - * **1+** .** *]"
1 137 VAL 6.208 0.537 8 1 "[ . + 1 . ]"
1 138 GLN 21.358 1.514 18 9 "[* * . -* 1* .**+*]"
1 139 ILE 22.862 2.717 13 3 "[ * . - + . ]"
1 140 GLY 20.363 1.283 6 18 "[*****+** -*********]"
1 141 LYS 86.943 1.894 9 19 [*-******+**********]
1 142 PHE 29.558 1.514 18 10 "[*-* . ** 1* .**+*]"
1 143 ARG 7.428 1.166 19 5 "[ - * * 1 * . +]"
1 144 LEU 3.292 0.407 14 0 "[ . 1 . ]"
1 145 VAL 8.845 1.303 11 7 "[ * **1+ - .** ]"
1 146 PHE 1.621 0.155 16 0 "[ . 1 . ]"
1 147 LEU 0.010 0.010 13 0 "[ . 1 . ]"
1 148 THR 8.536 1.152 1 2 "[+ - . 1 . ]"
1 149 GLY 10.047 2.208 14 8 "[** ** 1- *+. * ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 THR HB 1 21 THR MG 2.100 . 2.700 2.137 2.131 2.142 . 0 0 "[ . 1 . ]" 1
2 1 21 THR HA 1 21 THR MG 2.000 . 2.500 2.389 2.321 2.470 . 0 0 "[ . 1 . ]" 1
3 1 21 THR MG 1 93 THR HA 3.900 . 5.800 5.769 5.323 6.064 0.264 9 0 "[ . 1 . ]" 1
4 1 21 THR MG 1 24 VAL H 3.100 . 4.300 4.024 3.342 4.397 0.097 11 0 "[ . 1 . ]" 1
5 1 21 THR H 1 21 THR MG 4.000 . 6.000 3.892 3.756 4.053 . 0 0 "[ . 1 . ]" 1
6 1 23 SER HA 1 23 SER HB2 2.400 . 3.100 2.999 2.982 3.016 . 0 0 "[ . 1 . ]" 1
7 1 23 SER HB2 1 24 VAL HB 3.500 . 5.100 5.712 5.291 6.250 1.150 15 9 "[* .** **-** + ]" 1
8 1 24 VAL HA 1 24 VAL QG 2.400 . 3.100 2.214 2.105 2.355 . 0 0 "[ . 1 . ]" 1
9 1 24 VAL HB 1 24 VAL QG 2.100 . 2.500 1.893 1.888 1.897 . 0 0 "[ . 1 . ]" 1
10 1 24 VAL HA 1 24 VAL HB 2.500 . 3.300 2.610 2.393 3.002 . 0 0 "[ . 1 . ]" 1
11 1 24 VAL MG1 1 24 VAL MG2 1.800 . 2.200 2.090 2.072 2.105 . 0 0 "[ . 1 . ]" 1
12 1 23 SER HA 1 24 VAL H 2.200 . 2.800 2.209 1.987 3.143 0.343 12 0 "[ . 1 . ]" 1
13 1 24 VAL H 1 24 VAL HA 2.800 . 3.800 2.890 2.300 2.939 . 0 0 "[ . 1 . ]" 1
14 1 23 SER HB2 1 24 VAL H 3.700 . 5.400 4.173 3.684 4.432 . 0 0 "[ . 1 . ]" 1
15 1 24 VAL H 1 24 VAL HB 2.300 . 2.900 2.859 2.151 3.642 0.742 12 1 "[ . 1 + . ]" 1
16 1 24 VAL H 1 24 VAL QG . . 2.700 2.303 1.907 2.731 0.031 6 0 "[ . 1 . ]" 1
17 1 24 VAL HA 1 141 LYS HB2 4.100 . 6.000 5.424 4.573 6.451 0.451 1 0 "[ . 1 . ]" 1
18 1 24 VAL QG 1 116 LEU QD 2.400 . 3.100 2.092 1.620 2.588 0.080 12 0 "[ . 1 . ]" 1
19 1 24 VAL QG 1 117 ASN HA 3.900 . 4.700 2.401 1.883 2.814 0.117 10 0 "[ . 1 . ]" 1
20 1 24 VAL HA 1 25 PHE H 2.200 . 2.800 2.320 2.208 2.828 0.028 12 0 "[ . 1 . ]" 1
21 1 25 PHE HA 1 25 PHE HB2 2.800 . 3.800 2.624 2.532 2.768 . 0 0 "[ . 1 . ]" 1
22 1 24 VAL HB 1 25 PHE H 3.700 . 5.400 4.003 2.423 4.365 . 0 0 "[ . 1 . ]" 1
23 1 25 PHE HA 1 25 PHE QD 2.600 . 3.500 2.481 2.272 2.777 . 0 0 "[ . 1 . ]" 1
24 1 25 PHE HB2 1 93 THR HB 4.200 . 6.000 6.076 5.697 6.165 0.165 14 0 "[ . 1 . ]" 1
25 1 25 PHE HA 1 25 PHE QE 4.500 . 6.000 4.410 4.328 4.512 . 0 0 "[ . 1 . ]" 1
26 1 25 PHE H 1 25 PHE HB2 3.000 . 4.100 3.372 3.287 3.476 . 0 0 "[ . 1 . ]" 1
27 1 25 PHE HB2 1 26 ARG H 4.400 . 6.000 3.640 3.336 4.150 . 0 0 "[ . 1 . ]" 1
28 1 25 PHE HB2 1 25 PHE QD 2.800 . 3.700 2.591 2.491 2.653 . 0 0 "[ . 1 . ]" 1
29 1 25 PHE H 1 25 PHE HA 2.600 . 3.400 2.746 2.281 2.808 . 0 0 "[ . 1 . ]" 1
30 1 26 ARG HA 1 26 ARG HE 3.100 . 6.000 4.778 3.940 5.483 . 0 0 "[ . 1 . ]" 1
31 1 25 PHE H 1 26 ARG H 3.600 . 5.200 4.320 4.094 4.592 . 0 0 "[ . 1 . ]" 1
32 1 25 PHE QD 1 26 ARG H 2.800 . 3.800 2.363 1.895 3.157 . 0 0 "[ . 1 . ]" 1
33 1 25 PHE HA 1 26 ARG H 2.400 . 3.100 2.813 2.353 3.131 0.031 4 0 "[ . 1 . ]" 1
34 1 26 ARG HA 1 26 ARG HB2 2.900 . 4.000 2.626 2.241 2.880 . 0 0 "[ . 1 . ]" 1
35 1 26 ARG HG2 1 32 GLU HB2 3.200 . 4.500 4.652 3.846 5.323 0.823 16 4 "[ * . - 1 *.+ ]" 1
36 1 26 ARG HD2 1 26 ARG HG2 2.600 . 3.400 2.811 2.463 3.021 . 0 0 "[ . 1 . ]" 1
37 1 27 ALA HA 1 27 ALA MB 1.900 . 2.300 2.105 2.092 2.111 . 0 0 "[ . 1 . ]" 1
38 1 27 ALA H 1 27 ALA HA 2.400 . 3.100 2.309 2.223 2.810 . 0 0 "[ . 1 . ]" 1
39 1 26 ARG HA 1 27 ALA H 3.300 . 4.700 3.303 2.817 3.549 . 0 0 "[ . 1 . ]" 1
40 1 27 ALA H 1 27 ALA MB 2.200 . 2.800 2.772 2.158 2.874 0.074 5 0 "[ . 1 . ]" 1
41 1 27 ALA MB 1 138 GLN HG2 3.600 . 5.200 3.600 2.827 5.183 . 0 0 "[ . 1 . ]" 1
42 1 27 ALA MB 1 29 PHE QD 2.400 . 3.100 1.980 1.639 3.170 0.070 4 0 "[ . 1 . ]" 1
43 1 27 ALA MB 1 29 PHE QE 2.300 . 3.000 2.092 1.677 2.644 . 0 0 "[ . 1 . ]" 1
44 1 27 ALA MB 1 138 GLN HE21 3.200 . 4.500 3.250 2.157 4.277 . 0 0 "[ . 1 . ]" 1
45 1 27 ALA MB 1 29 PHE HB2 3.900 . 5.800 3.693 3.116 4.752 . 0 0 "[ . 1 . ]" 1
46 1 27 ALA HA 1 28 ASP HA 3.300 . 4.700 4.268 4.211 4.337 . 0 0 "[ . 1 . ]" 1
47 1 28 ASP HA 1 28 ASP HB2 2.200 . 2.800 2.611 2.409 2.996 0.196 12 0 "[ . 1 . ]" 1
48 1 28 ASP HA 1 29 PHE H 1.900 . 2.400 2.484 2.272 2.691 0.291 15 0 "[ . 1 . ]" 1
49 1 28 ASP H 1 28 ASP HB2 2.200 . 2.800 2.454 2.168 2.752 . 0 0 "[ . 1 . ]" 1
50 1 27 ALA HA 1 28 ASP H 1.900 . 2.300 2.417 2.041 2.624 0.324 16 0 "[ . 1 . ]" 1
51 1 27 ALA MB 1 28 ASP H 2.300 . 2.900 2.195 1.834 3.043 0.143 12 0 "[ . 1 . ]" 1
52 1 29 PHE HA 1 29 PHE HB2 2.600 . 3.500 3.028 3.018 3.035 . 0 0 "[ . 1 . ]" 1
53 1 29 PHE HB2 1 29 PHE QD 2.500 . 3.300 2.329 2.248 2.522 . 0 0 "[ . 1 . ]" 1
54 1 29 PHE HB2 1 30 LEU H 2.100 . 2.700 2.357 1.792 2.570 . 0 0 "[ . 1 . ]" 1
55 1 29 PHE QE 1 138 GLN HE22 4.100 . 6.000 4.636 2.229 6.897 0.897 11 4 "[ * . - 1+ . * ]" 1
56 1 29 PHE H 1 29 PHE QD 3.100 . 4.300 3.170 2.447 3.561 . 0 0 "[ . 1 . ]" 1
57 1 27 ALA MB 1 29 PHE HZ 4.300 . 6.000 3.855 2.732 4.685 . 0 0 "[ . 1 . ]" 1
58 1 29 PHE HA 1 29 PHE QD 2.600 . 3.500 2.794 2.282 3.174 . 0 0 "[ . 1 . ]" 1
59 1 30 LEU HA 1 30 LEU HB2 2.900 . 4.000 2.448 2.330 2.641 . 0 0 "[ . 1 . ]" 1
60 1 30 LEU HA 1 30 LEU MD2 3.700 . 5.400 3.731 2.038 3.937 . 0 0 "[ . 1 . ]" 1
61 1 31 SER H 1 31 SER HA 2.300 . 3.000 2.771 2.250 2.940 . 0 0 "[ . 1 . ]" 1
62 1 30 LEU HG 1 31 SER H 2.900 . 4.000 3.703 2.413 4.342 0.342 2 0 "[ . 1 . ]" 1
63 1 31 SER H 1 33 LEU QD 3.100 . 4.300 3.396 2.071 3.783 . 0 0 "[ . 1 . ]" 1
64 1 29 PHE QD 1 31 SER H 4.500 . 6.000 5.446 4.392 6.043 0.043 3 0 "[ . 1 . ]" 1
65 1 29 PHE HB2 1 31 SER H 4.100 . 6.000 4.732 3.212 5.338 . 0 0 "[ . 1 . ]" 1
66 1 30 LEU H 1 31 SER HA 3.200 . 6.000 4.797 4.224 5.198 . 0 0 "[ . 1 . ]" 1
67 1 31 SER HA 1 32 GLU H 2.600 . 3.500 2.826 2.177 3.565 0.065 18 0 "[ . 1 . ]" 1
68 1 32 GLU HB2 1 143 ARG HE 3.300 . 4.700 4.816 4.399 5.334 0.634 5 1 "[ + 1 . ]" 1
69 1 33 LEU HA 1 33 LEU QD 3.000 . 4.000 3.073 2.372 3.465 . 0 0 "[ . 1 . ]" 1
70 1 33 LEU HA 1 33 LEU HB2 2.300 . 3.000 2.754 2.501 2.987 . 0 0 "[ . 1 . ]" 1
71 1 33 LEU HB2 1 33 LEU QD 1.800 . 2.200 2.107 2.057 2.193 . 0 0 "[ . 1 . ]" 1
72 1 33 LEU MD1 1 33 LEU MD2 2.000 . 2.500 2.074 2.038 2.093 . 0 0 "[ . 1 . ]" 1
73 1 33 LEU QD 1 33 LEU HG 1.800 . 2.200 1.891 1.882 1.900 . 0 0 "[ . 1 . ]" 1
74 1 29 PHE QD 1 33 LEU QD 3.500 . 5.000 4.489 3.782 4.810 . 0 0 "[ . 1 . ]" 1
75 1 33 LEU QD 1 123 ARG H 3.700 . 5.500 5.119 4.405 5.417 . 0 0 "[ . 1 . ]" 1
76 1 33 LEU H 1 33 LEU HG 2.000 . 2.500 2.313 1.423 2.633 0.133 9 0 "[ . 1 . ]" 1
77 1 26 ARG HE 1 33 LEU HG 3.900 . 5.800 5.658 4.695 6.080 0.280 1 0 "[ . 1 . ]" 1
78 1 33 LEU QD 1 34 ASP H 2.900 . 3.900 2.536 1.846 3.491 0.154 4 0 "[ . 1 . ]" 1
79 1 33 LEU QD 1 138 GLN HG2 4.200 . 6.000 4.064 3.379 4.802 . 0 0 "[ . 1 . ]" 1
80 1 33 LEU H 1 33 LEU HA 2.400 . 3.100 2.831 2.256 2.939 . 0 0 "[ . 1 . ]" 1
81 1 33 LEU HA 1 34 ASP H 2.500 . 3.300 3.423 3.107 3.502 0.202 18 0 "[ . 1 . ]" 1
82 1 34 ASP H 1 34 ASP HA 2.300 . 3.000 2.599 2.263 2.933 . 0 0 "[ . 1 . ]" 1
83 1 33 LEU HG 1 34 ASP H 2.300 . 3.000 2.909 2.289 3.315 0.315 12 0 "[ . 1 . ]" 1
84 1 47 GLY H 1 48 VAL H 2.400 . 3.100 2.393 1.836 3.133 0.033 9 0 "[ . 1 . ]" 1
85 1 48 VAL HA 1 48 VAL HB 2.200 . 2.800 2.658 2.414 3.000 0.200 8 0 "[ . 1 . ]" 1
86 1 47 GLY H 1 48 VAL HA 3.200 . 4.500 4.553 4.029 4.799 0.299 5 0 "[ . 1 . ]" 1
87 1 49 GLU H 1 51 LEU HB2 3.700 . 5.400 5.564 3.604 7.078 1.678 2 6 "[ +* . * * -.* ]" 1
88 1 49 GLU HA 1 49 GLU HB2 2.400 . 3.100 2.593 2.391 3.025 . 0 0 "[ . 1 . ]" 1
89 1 48 VAL HA 1 49 GLU H 2.300 . 2.900 2.724 2.232 3.267 0.367 6 0 "[ . 1 . ]" 1
90 1 48 VAL H 1 49 GLU H 2.500 . 3.300 2.909 2.007 3.467 0.167 6 0 "[ . 1 . ]" 1
91 1 49 GLU HA 1 51 LEU H 3.600 . 5.200 4.589 3.845 5.377 0.177 5 0 "[ . 1 . ]" 1
92 1 49 GLU HA 1 50 GLY H 2.200 . 6.000 3.363 2.143 3.582 . 0 0 "[ . 1 . ]" 1
93 1 49 GLU H 1 50 GLY H 2.600 . 3.400 2.452 1.734 3.465 0.066 12 0 "[ . 1 . ]" 1
94 1 48 VAL HA 1 50 GLY H 2.400 . 6.000 4.486 3.378 5.559 . 0 0 "[ . 1 . ]" 1
95 1 51 LEU QD 1 51 LEU HG 2.000 . 2.500 1.892 1.886 1.896 . 0 0 "[ . 1 . ]" 1
96 1 49 GLU H 1 51 LEU H 3.800 . 5.600 3.971 2.867 5.102 . 0 0 "[ . 1 . ]" 1
97 1 51 LEU H 1 51 LEU HA 2.400 . 3.100 2.810 2.288 2.943 . 0 0 "[ . 1 . ]" 1
98 1 51 LEU H 1 53 PRO HD2 2.700 . 6.000 5.004 2.976 5.624 . 0 0 "[ . 1 . ]" 1
99 1 51 LEU H 1 51 LEU HB2 2.000 . 2.500 2.958 2.330 3.667 1.167 1 7 "[+*- . * * *.* ]" 1
100 1 51 LEU QD 1 53 PRO HD2 2.700 . 3.600 3.145 1.921 4.263 0.663 12 2 "[ . 1 + . -]" 1
101 1 51 LEU HA 1 53 PRO HD2 2.500 . 3.300 3.722 3.238 4.562 1.262 19 7 "[ * *. *- * .* +]" 1
102 1 51 LEU HG 1 148 THR HG1 3.700 . 5.400 4.806 2.946 5.506 0.106 5 0 "[ . 1 . ]" 1
103 1 51 LEU H 1 51 LEU HG 2.600 . 3.400 2.486 1.780 3.844 0.444 17 0 "[ . 1 . ]" 1
104 1 50 GLY H 1 51 LEU HG 4.000 . 6.000 4.442 2.837 6.029 0.029 1 0 "[ . 1 . ]" 1
105 1 51 LEU H 1 51 LEU QD 2.700 . 4.000 2.638 1.737 3.633 0.063 1 0 "[ . 1 . ]" 1
106 1 52 PRO HD2 1 149 GLY H 2.800 . 3.800 4.181 2.928 6.008 2.208 14 8 "[** ** 1- *+. * ]" 1
107 1 51 LEU H 1 52 PRO HD2 4.000 . 6.000 4.900 2.153 5.490 . 0 0 "[ . 1 . ]" 1
108 1 53 PRO HA 1 53 PRO HG2 3.700 . 5.400 3.954 3.801 4.091 . 0 0 "[ . 1 . ]" 1
109 1 53 PRO HB2 1 53 PRO HG2 2.200 . 2.800 2.293 2.259 2.323 . 0 0 "[ . 1 . ]" 1
110 1 53 PRO HB2 1 53 PRO HD2 3.500 . 5.000 3.614 2.937 4.088 . 0 0 "[ . 1 . ]" 1
111 1 53 PRO HD2 1 53 PRO HG2 2.400 . 3.100 2.288 2.248 2.356 . 0 0 "[ . 1 . ]" 1
112 1 51 LEU HB2 1 53 PRO HD2 3.100 . 4.300 2.888 1.735 4.324 0.165 3 0 "[ . 1 . ]" 1
113 1 53 PRO HA 1 54 GLY H 2.200 . 2.800 2.544 2.135 2.896 0.096 3 0 "[ . 1 . ]" 1
114 1 54 GLY H 1 54 GLY HA3 2.500 . 3.300 2.554 2.279 2.927 . 0 0 "[ . 1 . ]" 1
115 1 54 GLY H 1 54 GLY HA2 2.600 . 3.400 2.773 2.305 2.940 . 0 0 "[ . 1 . ]" 1
116 1 53 PRO HB2 1 54 GLY H 3.200 . 4.500 3.346 1.771 4.366 0.129 6 0 "[ . 1 . ]" 1
117 1 54 GLY HA3 1 55 SER H 3.500 . 5.100 2.933 2.220 3.518 . 0 0 "[ . 1 . ]" 1
118 1 54 GLY HA2 1 55 SER H 3.000 . 4.100 3.350 2.730 3.520 . 0 0 "[ . 1 . ]" 1
119 1 54 GLY H 1 55 SER H 2.400 . 3.100 2.599 2.145 3.174 0.074 17 0 "[ . 1 . ]" 1
120 1 55 SER H 1 55 SER HA 2.600 . 3.500 2.912 2.851 2.954 . 0 0 "[ . 1 . ]" 1
121 1 55 SER HA 1 55 SER HB2 3.000 . 4.100 2.852 2.484 3.020 . 0 0 "[ . 1 . ]" 1
122 1 55 SER HA 1 73 ASP HA 3.300 . 4.600 2.558 2.071 3.127 . 0 0 "[ . 1 . ]" 1
123 1 55 SER HA 1 108 PHE QD 3.800 . 5.600 5.456 4.875 5.784 0.184 14 0 "[ . 1 . ]" 1
124 1 55 SER HB2 1 73 ASP HA 4.300 . 6.000 3.964 2.467 4.543 . 0 0 "[ . 1 . ]" 1
125 1 55 SER H 1 55 SER HB2 3.300 . 4.600 3.238 2.792 3.868 . 0 0 "[ . 1 . ]" 1
126 1 54 GLY H 1 55 SER HB2 4.300 . 6.000 5.438 4.588 6.465 0.465 5 0 "[ . 1 . ]" 1
127 1 55 SER HA 1 73 ASP H 3.100 . 6.000 4.681 3.509 5.396 . 0 0 "[ . 1 . ]" 1
128 1 56 ALA HA 1 56 ALA MB 2.300 . 2.900 2.134 2.127 2.144 . 0 0 "[ . 1 . ]" 1
129 1 56 ALA H 1 108 PHE QD 4.000 . 6.000 4.531 4.053 4.805 . 0 0 "[ . 1 . ]" 1
130 1 55 SER HA 1 56 ALA H 2.400 . 3.100 2.211 2.089 2.453 . 0 0 "[ . 1 . ]" 1
131 1 56 ALA H 1 72 LEU HB2 2.600 . 3.400 2.494 2.000 3.458 0.058 12 0 "[ . 1 . ]" 1
132 1 56 ALA H 1 72 LEU QD 4.100 . 6.000 3.744 3.301 4.299 . 0 0 "[ . 1 . ]" 1
133 1 56 ALA MB 1 108 PHE QD 2.500 . 3.300 2.945 2.226 3.320 0.020 14 0 "[ . 1 . ]" 1
134 1 56 ALA H 1 56 ALA MB 2.600 . 3.400 2.513 2.453 2.643 . 0 0 "[ . 1 . ]" 1
135 1 56 ALA MB 1 148 THR H 3.600 . 5.200 4.758 4.088 5.221 0.021 3 0 "[ . 1 . ]" 1
136 1 57 LEU HA 1 57 LEU HB2 2.700 . 3.600 2.508 2.381 3.010 . 0 0 "[ . 1 . ]" 1
137 1 57 LEU HA 1 72 LEU H 3.300 . 4.600 2.928 2.710 3.274 . 0 0 "[ . 1 . ]" 1
138 1 57 LEU HA 1 71 LEU HA 3.700 . 5.400 4.024 3.528 4.470 . 0 0 "[ . 1 . ]" 1
139 1 57 LEU H 1 57 LEU HB2 2.700 . 3.600 3.886 2.846 4.046 0.446 4 0 "[ . 1 . ]" 1
140 1 57 LEU H 1 57 LEU HA 2.800 . 3.800 2.865 2.846 2.899 . 0 0 "[ . 1 . ]" 1
141 1 56 ALA MB 1 57 LEU H 2.400 . 3.100 2.376 2.314 2.513 . 0 0 "[ . 1 . ]" 1
142 1 57 LEU H 1 72 LEU QD 3.800 . 5.600 3.281 3.096 3.499 . 0 0 "[ . 1 . ]" 1
143 1 58 LEU MD2 1 87 ILE MG 3.000 . 6.000 5.337 4.985 6.056 0.056 15 0 "[ . 1 . ]" 1
144 1 58 LEU MD2 1 70 PHE QE 3.000 . 4.100 2.751 2.389 2.931 . 0 0 "[ . 1 . ]" 1
145 1 58 LEU MD2 1 59 VAL H 3.900 . 5.800 4.914 4.475 5.210 . 0 0 "[ . 1 . ]" 1
146 1 58 LEU HB2 1 58 LEU HG 2.600 . 3.500 2.994 2.972 3.014 . 0 0 "[ . 1 . ]" 1
147 1 58 LEU HB2 1 58 LEU MD2 2.700 . 3.600 2.426 2.364 2.523 . 0 0 "[ . 1 . ]" 1
148 1 58 LEU MD2 1 58 LEU HG 2.000 . 2.500 2.127 2.120 2.132 . 0 0 "[ . 1 . ]" 1
149 1 58 LEU MD1 1 58 LEU MD2 2.300 . 2.900 2.076 2.066 2.085 . 0 0 "[ . 1 . ]" 1
150 1 58 LEU HA 1 58 LEU MD2 3.400 . 4.900 3.738 3.610 3.839 . 0 0 "[ . 1 . ]" 1
151 1 58 LEU H 1 58 LEU MD2 3.600 . 5.200 4.004 3.919 4.133 . 0 0 "[ . 1 . ]" 1
152 1 58 LEU HA 1 145 VAL H 3.800 . 5.600 4.540 4.172 5.055 . 0 0 "[ . 1 . ]" 1
153 1 58 LEU MD1 1 58 LEU HG 2.100 . 2.700 2.124 2.107 2.133 . 0 0 "[ . 1 . ]" 1
154 1 58 LEU HB2 1 101 PHE HB2 4.300 . 6.000 5.715 5.023 6.029 0.029 15 0 "[ . 1 . ]" 1
155 1 57 LEU HA 1 58 LEU HB2 4.600 . 6.000 4.623 4.423 4.794 . 0 0 "[ . 1 . ]" 1
156 1 58 LEU HB2 1 70 PHE QE 3.100 . 4.300 3.676 2.447 4.086 . 0 0 "[ . 1 . ]" 1
157 1 58 LEU HB2 1 59 VAL H 4.100 . 6.000 4.147 3.767 4.348 . 0 0 "[ . 1 . ]" 1
158 1 58 LEU HB2 1 70 PHE H 3.300 . 4.700 2.725 2.563 2.891 . 0 0 "[ . 1 . ]" 1
159 1 58 LEU HB2 1 58 LEU MD1 2.500 . 3.300 2.246 2.174 2.309 . 0 0 "[ . 1 . ]" 1
160 1 58 LEU HA 1 58 LEU HG 3.600 . 5.200 2.678 2.542 2.825 . 0 0 "[ . 1 . ]" 1
161 1 58 LEU HG 1 70 PHE QD 4.400 . 6.000 4.944 4.041 5.102 . 0 0 "[ . 1 . ]" 1
162 1 58 LEU MD1 1 70 PHE QD 2.600 . 3.500 2.523 2.259 2.992 . 0 0 "[ . 1 . ]" 1
163 1 58 LEU H 1 58 LEU HA 3.000 . 4.100 2.933 2.924 2.950 . 0 0 "[ . 1 . ]" 1
164 1 57 LEU HA 1 58 LEU H 2.200 . 2.800 2.089 2.049 2.161 . 0 0 "[ . 1 . ]" 1
165 1 58 LEU H 1 58 LEU HB2 2.700 . 3.600 2.553 2.394 2.655 . 0 0 "[ . 1 . ]" 1
166 1 58 LEU H 1 58 LEU HG 2.600 . 3.400 3.447 3.344 3.539 0.139 10 0 "[ . 1 . ]" 1
167 1 59 VAL H 1 59 VAL HB 2.500 . 3.300 2.997 2.556 3.321 0.021 13 0 "[ . 1 . ]" 1
168 1 59 VAL H 1 145 VAL H 2.800 . 3.800 3.102 2.794 3.412 . 0 0 "[ . 1 . ]" 1
169 1 58 LEU HA 1 59 VAL H 2.300 . 2.900 2.210 2.167 2.264 . 0 0 "[ . 1 . ]" 1
170 1 59 VAL H 1 146 PHE HA 3.400 . 4.800 2.764 2.356 3.274 . 0 0 "[ . 1 . ]" 1
171 1 59 VAL HA 1 59 VAL HB 2.800 . 3.800 2.579 2.402 3.042 . 0 0 "[ . 1 . ]" 1
172 1 60 VAL HA 1 144 LEU HA 2.100 . 2.700 1.519 1.413 1.959 0.087 11 0 "[ . 1 . ]" 1
173 1 60 VAL H 1 60 VAL HA 2.900 . 3.900 2.860 2.825 2.881 . 0 0 "[ . 1 . ]" 1
174 1 59 VAL HA 1 60 VAL H 2.400 . 3.100 2.192 2.145 2.226 . 0 0 "[ . 1 . ]" 1
175 1 60 VAL H 1 60 VAL HB 3.200 . 4.500 3.453 2.377 3.610 . 0 0 "[ . 1 . ]" 1
176 1 59 VAL HA 1 60 VAL QG 3.900 . 5.800 3.341 3.212 3.645 . 0 0 "[ . 1 . ]" 1
177 1 60 VAL QG 1 69 ARG HE 3.300 . 6.000 5.667 5.072 5.901 . 0 0 "[ . 1 . ]" 1
178 1 60 VAL H 1 60 VAL QG 2.200 . 2.800 1.764 1.674 2.101 . 0 0 "[ . 1 . ]" 1
179 1 60 VAL QG 1 89 LEU MD2 3.200 . 4.500 2.330 1.292 3.616 0.608 10 2 "[ . + . - ]" 1
180 1 60 VAL HA 1 61 LYS H 2.300 . 3.000 2.068 1.994 2.180 . 0 0 "[ . 1 . ]" 1
181 1 60 VAL QG 1 67 GLY H 3.900 . 5.800 2.194 1.998 2.555 0.002 1 0 "[ . 1 . ]" 1
182 1 60 VAL QG 1 68 SER H . . 2.400 1.424 1.266 2.440 0.534 8 6 "[ *. +-1 * . **]" 1
183 1 60 VAL QG 1 65 ASN HD22 3.700 . 5.400 4.843 4.487 5.103 . 0 0 "[ . 1 . ]" 1
184 1 60 VAL HA 1 60 VAL HB 2.800 . 3.800 2.342 2.253 3.011 . 0 0 "[ . 1 . ]" 1
185 1 60 VAL HA 1 60 VAL QG 2.600 . 3.500 2.530 2.176 2.598 . 0 0 "[ . 1 . ]" 1
186 1 60 VAL H 1 61 LYS H 4.800 . 6.000 4.346 4.280 4.439 . 0 0 "[ . 1 . ]" 1
187 1 61 LYS H 1 144 LEU HA 3.600 . 5.300 2.142 1.895 2.407 0.005 19 0 "[ . 1 . ]" 1
188 1 61 LYS HA 1 145 VAL QG 2.600 . 3.500 3.597 3.305 3.685 0.185 5 0 "[ . 1 . ]" 1
189 1 61 LYS HB2 1 62 ARG H 4.300 . 6.000 3.448 1.882 3.735 0.118 2 0 "[ . 1 . ]" 1
190 1 61 LYS H 1 61 LYS HB2 3.200 . 4.500 2.458 2.306 2.596 . 0 0 "[ . 1 . ]" 1
191 1 61 LYS HD2 1 62 ARG H 4.800 . 6.000 4.992 3.595 5.493 . 0 0 "[ . 1 . ]" 1
192 1 61 LYS H 1 61 LYS HD2 5.000 . 6.000 4.784 4.260 5.919 . 0 0 "[ . 1 . ]" 1
193 1 61 LYS HA 1 61 LYS HD2 3.400 . 4.800 3.567 1.888 4.907 0.112 3 0 "[ . 1 . ]" 1
194 1 61 LYS HA 1 62 ARG H 3.200 . 4.500 3.545 3.491 3.561 . 0 0 "[ . 1 . ]" 1
195 1 61 LYS H 1 61 LYS HA 2.700 . 3.600 2.820 2.761 2.864 . 0 0 "[ . 1 . ]" 1
196 1 61 LYS H 1 62 ARG H 2.700 . 3.600 2.809 2.475 3.174 . 0 0 "[ . 1 . ]" 1
197 1 62 ARG H 1 62 ARG HA 2.900 . 3.900 2.880 2.832 2.907 . 0 0 "[ . 1 . ]" 1
198 1 62 ARG H 1 66 ALA MB 4.000 . 6.000 4.144 3.804 4.476 . 0 0 "[ . 1 . ]" 1
199 1 62 ARG H 1 143 ARG H 3.100 . 4.300 3.725 3.265 4.154 . 0 0 "[ . 1 . ]" 1
200 1 62 ARG H 1 63 GLY H 3.000 . 4.100 4.052 3.167 4.216 0.116 13 0 "[ . 1 . ]" 1
201 1 62 ARG H 1 66 ALA HA 3.800 . 5.600 4.618 4.329 4.852 . 0 0 "[ . 1 . ]" 1
202 1 62 ARG HA 1 62 ARG HG2 2.100 . 2.700 2.578 2.246 2.950 0.250 16 0 "[ . 1 . ]" 1
203 1 63 GLY H 1 65 ASN HA 2.900 . 6.000 6.115 5.997 6.247 0.247 4 0 "[ . 1 . ]" 1
204 1 63 GLY H 1 63 GLY HA2 2.400 . 3.100 2.826 2.646 2.940 . 0 0 "[ . 1 . ]" 1
205 1 63 GLY H 1 64 PRO HD2 3.400 . 4.800 4.565 3.624 4.896 0.096 5 0 "[ . 1 . ]" 1
206 1 63 GLY H 1 66 ALA MB 2.600 . 3.400 1.722 1.656 1.834 0.144 8 0 "[ . 1 . ]" 1
207 1 62 ARG HA 1 63 GLY H 2.400 . 3.100 2.129 2.073 2.329 . 0 0 "[ . 1 . ]" 1
208 1 63 GLY H 1 63 GLY HA3 2.900 . 4.000 2.700 2.427 2.886 . 0 0 "[ . 1 . ]" 1
209 1 64 PRO HA 1 64 PRO HB2 2.400 . 3.100 2.916 2.668 2.988 . 0 0 "[ . 1 . ]" 1
210 1 64 PRO HA 1 64 PRO HG2 2.900 . 4.000 3.894 3.619 4.052 0.052 8 0 "[ . 1 . ]" 1
211 1 64 PRO HB2 1 64 PRO HG2 1.800 . 2.200 2.297 2.253 2.321 0.121 11 0 "[ . 1 . ]" 1
212 1 64 PRO HB2 1 64 PRO HD2 2.600 . 3.400 3.091 2.827 4.022 0.622 9 2 "[ . +1 -. ]" 1
213 1 64 PRO HD2 1 64 PRO HG2 2.200 . 2.800 2.310 2.281 2.325 . 0 0 "[ . 1 . ]" 1
214 1 64 PRO HA 1 142 PHE HA 3.800 . 5.600 5.847 5.733 5.971 0.371 15 0 "[ . 1 . ]" 1
215 1 63 GLY HA2 1 64 PRO HD2 2.700 . 3.600 3.556 2.275 4.281 0.681 3 2 "[ + . - 1 . ]" 1
216 1 64 PRO HG2 1 65 ASN H 3.600 . 5.200 3.434 1.589 4.259 0.411 9 0 "[ . 1 . ]" 1
217 1 64 PRO HD2 1 142 PHE QE 3.800 . 5.600 3.477 2.848 5.308 . 0 0 "[ . 1 . ]" 1
218 1 64 PRO HA 1 66 ALA H 3.200 . 4.500 4.776 4.635 4.896 0.396 13 0 "[ . 1 . ]" 1
219 1 64 PRO HA 1 65 ASN H 2.500 . 6.000 3.551 3.475 3.604 . 0 0 "[ . 1 . ]" 1
220 1 65 ASN H 1 66 ALA H 2.000 . 2.500 2.405 2.275 2.526 0.026 1 0 "[ . 1 . ]" 1
221 1 65 ASN H 1 141 LYS H 6.000 . 6.000 6.171 6.061 6.285 0.285 2 0 "[ . 1 . ]" 1
222 1 65 ASN H 1 65 ASN HB2 2.500 . 3.300 2.406 2.324 2.643 . 0 0 "[ . 1 . ]" 1
223 1 65 ASN HD22 1 142 PHE QD 4.700 . 6.000 6.011 5.643 6.097 0.097 2 0 "[ . 1 . ]" 1
224 1 65 ASN HD21 1 142 PHE QD 3.700 . 5.400 4.559 4.129 4.733 . 0 0 "[ . 1 . ]" 1
225 1 65 ASN HA 1 65 ASN HD21 4.300 . 6.000 4.371 3.888 4.479 . 0 0 "[ . 1 . ]" 1
226 1 65 ASN HB2 1 65 ASN HD21 2.700 . 3.600 2.953 2.874 3.427 . 0 0 "[ . 1 . ]" 1
227 1 65 ASN HD22 1 88 PHE HB2 3.300 . 4.700 4.744 4.285 4.847 0.147 10 0 "[ . 1 . ]" 1
228 1 65 ASN HA 1 65 ASN HB2 2.200 . 2.800 2.596 2.505 2.665 . 0 0 "[ . 1 . ]" 1
229 1 65 ASN HB2 1 65 ASN HD22 3.600 . 5.300 3.793 3.751 4.019 . 0 0 "[ . 1 . ]" 1
230 1 65 ASN HB2 1 66 ALA H 3.700 . 5.400 3.431 3.341 3.643 . 0 0 "[ . 1 . ]" 1
231 1 66 ALA HA 1 66 ALA MB 2.000 . 2.500 2.120 2.105 2.128 . 0 0 "[ . 1 . ]" 1
232 1 60 VAL HB 1 66 ALA HA 2.800 . 3.800 3.880 3.549 3.978 0.178 11 0 "[ . 1 . ]" 1
233 1 60 VAL QG 1 66 ALA HA 2.000 . 6.000 1.672 1.559 2.025 . 0 0 "[ . 1 . ]" 1
234 1 60 VAL HB 1 66 ALA MB 3.600 . 5.200 5.114 4.726 5.265 0.065 11 0 "[ . 1 . ]" 1
235 1 63 GLY HA3 1 66 ALA MB 2.900 . 4.000 3.692 3.525 4.032 0.032 1 0 "[ . 1 . ]" 1
236 1 65 ASN HA 1 66 ALA MB 2.600 . 6.000 4.273 4.206 4.338 . 0 0 "[ . 1 . ]" 1
237 1 66 ALA MB 1 67 GLY QA 3.500 . 5.100 3.410 3.360 3.490 . 0 0 "[ . 1 . ]" 1
238 1 66 ALA H 1 67 GLY H 3.700 . 5.400 4.470 4.366 4.573 . 0 0 "[ . 1 . ]" 1
239 1 66 ALA H 1 66 ALA HA 2.200 . 2.800 2.271 2.235 2.293 . 0 0 "[ . 1 . ]" 1
240 1 60 VAL HB 1 66 ALA H 3.400 . 4.800 4.889 4.753 4.983 0.183 13 0 "[ . 1 . ]" 1
241 1 66 ALA H 1 93 THR MG 3.900 . 5.800 6.116 5.959 6.198 0.398 16 0 "[ . 1 . ]" 1
242 1 66 ALA HA 1 68 SER H 4.000 . 6.000 3.385 3.280 3.512 . 0 0 "[ . 1 . ]" 1
243 1 66 ALA H 1 66 ALA MB 2.200 . 2.800 2.806 2.766 2.845 0.045 9 0 "[ . 1 . ]" 1
244 1 67 GLY H 1 67 GLY QA 2.600 . 3.400 2.227 2.219 2.235 . 0 0 "[ . 1 . ]" 1
245 1 66 ALA HA 1 67 GLY H 2.200 . 2.800 2.388 2.284 2.519 . 0 0 "[ . 1 . ]" 1
246 1 60 VAL HB 1 67 GLY H 3.500 . 5.000 4.562 2.973 4.901 . 0 0 "[ . 1 . ]" 1
247 1 66 ALA MB 1 67 GLY H 3.100 . 4.300 2.476 2.260 2.684 . 0 0 "[ . 1 . ]" 1
248 1 59 VAL QG 1 67 GLY QA 3.300 . 4.700 3.408 3.105 3.736 . 0 0 "[ . 1 . ]" 1
249 1 67 GLY QA 1 68 SER H 3.300 . 4.100 2.955 2.934 2.983 . 0 0 "[ . 1 . ]" 1
250 1 67 GLY H 1 68 SER H 2.800 . 3.800 2.600 2.544 2.691 . 0 0 "[ . 1 . ]" 1
251 1 68 SER H 1 68 SER HA 2.400 . 3.100 2.947 2.926 2.968 . 0 0 "[ . 1 . ]" 1
252 1 68 SER H 1 68 SER HB2 2.100 . 2.700 2.680 2.566 2.900 0.200 10 0 "[ . 1 . ]" 1
253 1 68 SER H 1 142 PHE HB2 3.800 . 6.000 6.267 6.182 6.387 0.387 10 0 "[ . 1 . ]" 1
254 1 60 VAL HB 1 68 SER H 3.600 . 5.300 3.860 1.525 4.252 0.375 15 0 "[ . 1 . ]" 1
255 1 60 VAL H 1 68 SER H 3.200 . 4.500 3.336 3.104 3.696 . 0 0 "[ . 1 . ]" 1
256 1 66 ALA H 1 68 SER H 4.600 . 6.000 4.679 4.406 4.926 . 0 0 "[ . 1 . ]" 1
257 1 68 SER H 1 142 PHE QD 5.000 . 6.000 5.260 4.236 6.022 0.022 13 0 "[ . 1 . ]" 1
258 1 65 ASN HB2 1 68 SER H 4.300 . 6.000 6.448 6.144 6.821 0.821 8 10 "[** -* +*1 ** . ** ]" 1
259 1 68 SER HA 1 68 SER HB2 2.600 . 3.400 2.931 2.454 3.021 . 0 0 "[ . 1 . ]" 1
260 1 68 SER HA 1 69 ARG HA 3.300 . 4.700 4.645 4.607 4.697 . 0 0 "[ . 1 . ]" 1
261 1 59 VAL HA 1 69 ARG H 4.500 . 6.000 4.354 4.291 4.540 . 0 0 "[ . 1 . ]" 1
262 1 69 ARG HE 1 71 LEU HB2 3.300 . 6.000 4.282 3.656 5.415 . 0 0 "[ . 1 . ]" 1
263 1 69 ARG HE 1 87 ILE HB 3.200 . 6.000 3.979 3.223 5.891 . 0 0 "[ . 1 . ]" 1
264 1 69 ARG HE 1 70 PHE HA 4.300 . 6.000 4.294 3.529 6.098 0.098 2 0 "[ . 1 . ]" 1
265 1 69 ARG HA 1 69 ARG HD2 3.500 . 5.000 4.821 3.740 5.111 0.111 10 0 "[ . 1 . ]" 1
266 1 59 VAL HA 1 69 ARG HA 2.300 . 3.000 1.971 1.888 2.074 . 0 0 "[ . 1 . ]" 1
267 1 69 ARG HA 1 70 PHE QE 3.600 . 5.200 4.446 3.935 4.894 . 0 0 "[ . 1 . ]" 1
268 1 60 VAL H 1 69 ARG HA 3.100 . 4.300 2.838 2.502 3.049 . 0 0 "[ . 1 . ]" 1
269 1 69 ARG HD2 1 69 ARG HE 2.400 . 3.100 2.873 2.410 2.952 . 0 0 "[ . 1 . ]" 1
270 1 69 ARG H 1 69 ARG HD2 3.100 . 4.300 3.757 2.661 4.115 . 0 0 "[ . 1 . ]" 1
271 1 69 ARG H 1 70 PHE H 3.700 . 5.500 4.325 4.280 4.382 . 0 0 "[ . 1 . ]" 1
272 1 69 ARG H 1 70 PHE QE 4.400 . 6.000 5.334 4.958 6.000 . 0 0 "[ . 1 . ]" 1
273 1 69 ARG H 1 69 ARG HA 2.700 . 3.600 2.838 2.819 2.863 . 0 0 "[ . 1 . ]" 1
274 1 68 SER HA 1 69 ARG H 2.200 . 2.800 2.736 2.590 2.856 0.056 1 0 "[ . 1 . ]" 1
275 1 69 ARG H 1 87 ILE HB 2.300 . 6.000 3.825 3.517 4.209 . 0 0 "[ . 1 . ]" 1
276 1 70 PHE H 1 87 ILE MG 4.800 . 6.000 4.408 4.234 4.650 . 0 0 "[ . 1 . ]" 1
277 1 58 LEU MD2 1 70 PHE H 4.800 . 6.000 4.611 4.431 4.845 . 0 0 "[ . 1 . ]" 1
278 1 70 PHE HA 1 79 ALA MB 4.800 . 6.000 4.050 3.771 4.512 . 0 0 "[ . 1 . ]" 1
279 1 59 VAL HA 1 70 PHE HA 4.300 . 6.000 6.216 6.134 6.287 0.287 16 0 "[ . 1 . ]" 1
280 1 70 PHE HA 1 87 ILE H 3.700 . 5.400 4.532 3.852 4.949 . 0 0 "[ . 1 . ]" 1
281 1 70 PHE HA 1 70 PHE QD 3.200 . 4.500 2.802 2.494 3.235 . 0 0 "[ . 1 . ]" 1
282 1 70 PHE QD 1 101 PHE HB2 3.200 . 4.500 2.458 1.311 2.983 0.589 8 1 "[ . + 1 . ]" 1
283 1 58 LEU H 1 70 PHE H 2.700 . 3.600 2.950 2.696 3.243 . 0 0 "[ . 1 . ]" 1
284 1 70 PHE H 1 70 PHE QE 3.700 . 5.400 4.218 3.939 4.462 . 0 0 "[ . 1 . ]" 1
285 1 69 ARG HA 1 70 PHE H 2.300 . 2.900 2.336 2.290 2.413 . 0 0 "[ . 1 . ]" 1
286 1 70 PHE H 1 101 PHE HB2 4.900 . 6.000 6.244 5.914 6.385 0.385 11 0 "[ . 1 . ]" 1
287 1 71 LEU H 1 87 ILE MG 3.600 . 5.200 2.980 2.740 3.483 . 0 0 "[ . 1 . ]" 1
288 1 71 LEU HA 1 71 LEU HB2 2.400 . 3.100 2.386 2.307 2.444 . 0 0 "[ . 1 . ]" 1
289 1 71 LEU HA 1 71 LEU HG 2.600 . 3.500 3.188 2.601 3.683 0.183 7 0 "[ . 1 . ]" 1
290 1 71 LEU HB2 1 71 LEU HG 2.100 . 2.600 2.488 2.253 2.734 0.134 17 0 "[ . 1 . ]" 1
291 1 71 LEU HB2 1 71 LEU QD 2.200 . 2.800 2.307 2.095 2.537 . 0 0 "[ . 1 . ]" 1
292 1 71 LEU HA 1 71 LEU QD 2.700 . 3.600 2.645 2.046 3.299 . 0 0 "[ . 1 . ]" 1
293 1 71 LEU HB2 1 72 LEU H 4.300 . 6.000 4.432 3.903 4.557 . 0 0 "[ . 1 . ]" 1
294 1 70 PHE HA 1 71 LEU H 2.600 . 3.400 2.198 2.146 2.235 . 0 0 "[ . 1 . ]" 1
295 1 71 LEU H 1 71 LEU HA 2.700 . 3.600 2.885 2.859 2.901 . 0 0 "[ . 1 . ]" 1
296 1 71 LEU QD 1 72 LEU H 4.100 . 4.100 3.304 2.432 4.086 . 0 0 "[ . 1 . ]" 1
297 1 55 SER HB2 1 71 LEU QD 3.500 . 5.100 4.351 2.567 5.401 0.301 10 0 "[ . 1 . ]" 1
298 1 71 LEU QD 1 73 ASP HB2 3.100 . 4.300 2.557 1.712 3.884 0.288 6 0 "[ . 1 . ]" 1
299 1 71 LEU H 1 71 LEU QD 3.000 . 4.100 3.501 1.917 3.664 0.083 7 0 "[ . 1 . ]" 1
300 1 71 LEU QD 1 77 THR HA 3.400 . 4.900 5.028 4.576 5.118 0.218 16 0 "[ . 1 . ]" 1
301 1 55 SER HA 1 71 LEU QD 4.200 . 6.000 4.964 3.946 5.757 . 0 0 "[ . 1 . ]" 1
302 1 71 LEU H 1 71 LEU HB2 2.900 . 3.900 2.855 2.669 3.653 . 0 0 "[ . 1 . ]" 1
303 1 71 LEU HG 1 73 ASP HB2 2.600 . 3.400 3.607 2.632 4.578 1.178 15 8 "[ **. 1* *+* *-]" 1
304 1 55 SER HB2 1 71 LEU HG 3.800 . 5.600 5.954 4.512 7.112 1.512 4 6 "[ -+. 1* ** *]" 1
305 1 71 LEU HA 1 72 LEU H 2.400 . 3.100 2.203 2.083 2.264 . 0 0 "[ . 1 . ]" 1
306 1 72 LEU H 1 87 ILE MG 4.000 . 6.000 6.088 6.013 6.240 0.240 8 0 "[ . 1 . ]" 1
307 1 72 LEU HB2 1 72 LEU QD 2.900 . 3.900 2.182 2.063 2.350 . 0 0 "[ . 1 . ]" 1
308 1 72 LEU HA 1 72 LEU HG 3.300 . 4.600 3.296 2.486 3.683 . 0 0 "[ . 1 . ]" 1
309 1 72 LEU HB2 1 72 LEU HG 2.500 . 3.300 2.652 2.373 2.992 . 0 0 "[ . 1 . ]" 1
310 1 58 LEU HG 1 72 LEU QD 3.100 . 4.300 3.530 3.310 3.790 . 0 0 "[ . 1 . ]" 1
311 1 72 LEU HA 1 72 LEU QD 2.400 . 3.100 2.257 1.996 3.003 0.004 8 0 "[ . 1 . ]" 1
312 1 72 LEU MD1 1 72 LEU MD2 2.100 . 2.600 2.059 2.034 2.088 . 0 0 "[ . 1 . ]" 1
313 1 72 LEU H 1 72 LEU HG 3.000 . 4.200 3.246 1.903 4.227 0.027 11 0 "[ . 1 . ]" 1
314 1 70 PHE QE 1 72 LEU QD 4.000 . 6.000 4.563 4.286 4.986 . 0 0 "[ . 1 . ]" 1
315 1 58 LEU MD2 1 72 LEU QD 3.100 . 4.300 3.551 3.415 3.686 . 0 0 "[ . 1 . ]" 1
316 1 70 PHE HB2 1 72 LEU QD 2.700 . 3.600 1.900 1.693 2.396 0.107 12 0 "[ . 1 . ]" 1
317 1 72 LEU QD 1 108 PHE QD 3.300 . 4.300 3.098 2.582 3.586 . 0 0 "[ . 1 . ]" 1
318 1 58 LEU H 1 72 LEU QD 2.800 . 3.800 2.345 1.980 2.668 . 0 0 "[ . 1 . ]" 1
319 1 72 LEU H 1 72 LEU QD 2.800 . 3.800 2.326 1.851 2.946 0.049 8 0 "[ . 1 . ]" 1
320 1 72 LEU QD 1 101 PHE H 4.300 . 6.000 4.117 3.532 4.373 . 0 0 "[ . 1 . ]" 1
321 1 72 LEU H 1 72 LEU HB2 3.100 . 4.300 2.626 2.416 2.790 . 0 0 "[ . 1 . ]" 1
322 1 58 LEU H 1 72 LEU HG 3.700 . 5.400 4.004 2.873 5.105 . 0 0 "[ . 1 . ]" 1
323 1 72 LEU HG 1 108 PHE QD 4.300 . 6.000 4.239 3.104 5.233 . 0 0 "[ . 1 . ]" 1
324 1 57 LEU HA 1 72 LEU QD 3.100 . 4.300 2.076 1.573 2.625 0.327 12 0 "[ . 1 . ]" 1
325 1 72 LEU QD 1 73 ASP H 3.100 . 4.300 3.990 3.699 4.219 . 0 0 "[ . 1 . ]" 1
326 1 72 LEU QD 1 102 ARG H 3.900 . 5.800 4.861 3.754 5.192 . 0 0 "[ . 1 . ]" 1
327 1 73 ASP H 1 74 GLN HA 4.100 . 6.000 4.799 4.610 5.140 . 0 0 "[ . 1 . ]" 1
328 1 73 ASP HA 1 73 ASP HB2 2.700 . 3.600 2.432 2.360 2.572 . 0 0 "[ . 1 . ]" 1
329 1 73 ASP HA 1 108 PHE QD 3.800 . 5.600 5.580 4.823 5.785 0.185 2 0 "[ . 1 . ]" 1
330 1 72 LEU H 1 73 ASP HA 3.800 . 5.700 4.955 4.723 5.187 . 0 0 "[ . 1 . ]" 1
331 1 73 ASP H 1 74 GLN H 2.500 . 3.300 2.063 1.853 2.454 . 0 0 "[ . 1 . ]" 1
332 1 71 LEU H 1 74 GLN H 3.000 . 6.000 6.188 6.083 6.289 0.289 6 0 "[ . 1 . ]" 1
333 1 74 GLN H 1 108 PHE QD 3.900 . 6.000 5.979 5.369 6.109 0.109 11 0 "[ . 1 . ]" 1
334 1 74 GLN H 1 74 GLN HA 2.800 . 3.800 2.932 2.892 2.949 . 0 0 "[ . 1 . ]" 1
335 1 73 ASP HB2 1 74 GLN H 3.900 . 5.800 4.103 3.792 4.238 . 0 0 "[ . 1 . ]" 1
336 1 74 GLN H 1 77 THR MG 3.700 . 5.400 3.446 3.142 3.755 . 0 0 "[ . 1 . ]" 1
337 1 74 GLN H 1 103 LEU QD 3.300 . 6.000 5.355 4.951 5.890 . 0 0 "[ . 1 . ]" 1
338 1 71 LEU QD 1 74 GLN H 3.500 . 5.100 2.391 1.928 3.846 . 0 0 "[ . 1 . ]" 1
339 1 74 GLN HB2 1 74 GLN HE21 3.000 . 4.100 3.456 1.644 4.299 0.256 14 0 "[ . 1 . ]" 1
340 1 74 GLN HE21 1 74 GLN HG2 2.300 . 2.900 2.828 2.185 3.451 0.551 1 3 "[+ * . 1 - . ]" 1
341 1 74 GLN HE21 1 77 THR HA 3.300 . 4.700 2.934 2.092 3.724 . 0 0 "[ . 1 . ]" 1
342 1 74 GLN HE22 1 77 THR HA 3.300 . 4.700 3.235 2.927 3.584 . 0 0 "[ . 1 . ]" 1
343 1 74 GLN HE22 1 74 GLN HG2 3.600 . 5.200 3.744 3.456 4.037 . 0 0 "[ . 1 . ]" 1
344 1 74 GLN HB2 1 74 GLN HE22 3.200 . 4.500 4.125 3.327 4.526 0.026 17 0 "[ . 1 . ]" 1
345 1 74 GLN HE22 1 77 THR MG 4.400 . 6.000 2.950 2.337 3.604 . 0 0 "[ . 1 . ]" 1
346 1 74 GLN HE22 1 76 ILE HA 5.000 . 6.000 5.987 5.320 6.141 0.141 13 0 "[ . 1 . ]" 1
347 1 74 GLN HE21 1 76 ILE HA 4.500 . 6.000 4.922 4.297 6.016 0.016 6 0 "[ . 1 . ]" 1
348 1 74 GLN HA 1 74 GLN HB2 2.500 . 3.300 2.570 2.382 3.030 . 0 0 "[ . 1 . ]" 1
349 1 74 GLN HB2 1 74 GLN HG2 2.500 . 3.300 2.965 2.753 3.011 . 0 0 "[ . 1 . ]" 1
350 1 74 GLN HA 1 75 ALA MB 3.400 . 4.800 4.261 4.055 4.403 . 0 0 "[ . 1 . ]" 1
351 1 74 GLN HG2 1 76 ILE H 4.300 . 6.000 4.246 3.629 5.014 . 0 0 "[ . 1 . ]" 1
352 1 74 GLN HB2 1 75 ALA H 2.700 . 3.600 2.339 1.837 3.526 . 0 0 "[ . 1 . ]" 1
353 1 75 ALA H 1 76 ILE HB 2.900 . 6.000 5.682 5.397 6.004 0.004 11 0 "[ . 1 . ]" 1
354 1 75 ALA H 1 103 LEU QD 3.800 . 5.600 4.922 4.661 5.190 . 0 0 "[ . 1 . ]" 1
355 1 75 ALA HA 1 75 ALA MB 2.000 . 2.500 2.125 2.114 2.136 . 0 0 "[ . 1 . ]" 1
356 1 75 ALA HA 1 103 LEU H 3.400 . 4.900 4.163 3.628 4.519 . 0 0 "[ . 1 . ]" 1
357 1 75 ALA MB 1 76 ILE MG 2.800 . 3.800 2.437 2.155 2.671 . 0 0 "[ . 1 . ]" 1
358 1 75 ALA MB 1 103 LEU QD 3.500 . 5.000 3.643 3.186 3.830 . 0 0 "[ . 1 . ]" 1
359 1 75 ALA MB 1 103 LEU H 3.400 . 4.800 4.159 3.427 4.545 . 0 0 "[ . 1 . ]" 1
360 1 75 ALA H 1 76 ILE HA 2.800 . 6.000 5.121 4.760 5.455 . 0 0 "[ . 1 . ]" 1
361 1 75 ALA H 1 75 ALA HA 2.800 . 3.800 2.846 2.706 2.917 . 0 0 "[ . 1 . ]" 1
362 1 75 ALA H 1 75 ALA MB 2.200 . 2.800 2.257 2.213 2.315 . 0 0 "[ . 1 . ]" 1
363 1 75 ALA HA 1 103 LEU HB2 2.600 . 3.400 3.287 2.242 3.507 0.107 9 0 "[ . 1 . ]" 1
364 1 74 GLN HB2 1 75 ALA MB 3.800 . 5.600 4.039 3.666 4.949 . 0 0 "[ . 1 . ]" 1
365 1 75 ALA HA 1 103 LEU QD . . 3.100 2.930 2.694 3.085 . 0 0 "[ . 1 . ]" 1
366 1 75 ALA H 1 76 ILE H 2.600 . 3.500 2.623 2.186 3.104 . 0 0 "[ . 1 . ]" 1
367 1 76 ILE H 1 76 ILE HA 2.800 . 3.800 2.855 2.803 2.935 . 0 0 "[ . 1 . ]" 1
368 1 75 ALA HA 1 76 ILE H 3.200 . 4.500 3.534 3.414 3.603 . 0 0 "[ . 1 . ]" 1
369 1 74 GLN HB2 1 76 ILE H 2.800 . 3.800 3.322 2.713 3.831 0.031 11 0 "[ . 1 . ]" 1
370 1 75 ALA MB 1 76 ILE H 2.300 . 3.000 2.664 2.239 3.054 0.054 13 0 "[ . 1 . ]" 1
371 1 76 ILE H 1 76 ILE MD 3.100 . 4.300 4.146 3.992 4.437 0.137 4 0 "[ . 1 . ]" 1
372 1 76 ILE H 1 102 ARG HA 4.900 . 6.000 5.473 4.472 6.067 0.067 12 0 "[ . 1 . ]" 1
373 1 76 ILE MG 1 102 ARG HA 3.600 . 5.200 4.089 3.829 4.332 . 0 0 "[ . 1 . ]" 1
374 1 76 ILE MG 1 77 THR H 3.700 . 5.500 4.137 4.001 4.340 . 0 0 "[ . 1 . ]" 1
375 1 76 ILE HB 1 76 ILE MG 2.100 . 2.600 2.112 2.100 2.125 . 0 0 "[ . 1 . ]" 1
376 1 76 ILE HA 1 76 ILE MG 3.000 . 4.100 3.187 3.141 3.214 . 0 0 "[ . 1 . ]" 1
377 1 76 ILE MG 1 102 ARG HE 3.500 . 5.100 4.645 3.927 5.191 0.091 16 0 "[ . 1 . ]" 1
378 1 76 ILE H 1 76 ILE MG 2.700 . 3.600 2.501 2.075 2.663 . 0 0 "[ . 1 . ]" 1
379 1 76 ILE MG 1 103 LEU H 3.700 . 5.500 4.312 3.861 4.508 . 0 0 "[ . 1 . ]" 1
380 1 76 ILE MG 1 102 ARG H 4.300 . 6.000 6.158 5.872 6.305 0.305 12 0 "[ . 1 . ]" 1
381 1 76 ILE HA 1 77 THR H 2.400 . 3.100 2.138 2.089 2.196 . 0 0 "[ . 1 . ]" 1
382 1 76 ILE H 1 76 ILE HB 2.700 . 3.600 3.571 3.383 3.637 0.037 4 0 "[ . 1 . ]" 1
383 1 76 ILE HA 1 76 ILE HB 2.900 . 3.900 2.347 2.279 2.406 . 0 0 "[ . 1 . ]" 1
384 1 76 ILE MD 1 102 ARG HE 3.500 . 5.000 3.785 1.957 4.477 0.043 4 0 "[ . 1 . ]" 1
385 1 76 ILE MD 1 101 PHE H 3.900 . 5.800 3.876 2.798 4.386 . 0 0 "[ . 1 . ]" 1
386 1 76 ILE MD 1 77 THR H 2.700 . 3.600 2.945 1.799 3.299 0.001 16 0 "[ . 1 . ]" 1
387 1 76 ILE MD 1 77 THR HA 2.900 . 4.000 3.223 2.947 4.028 0.028 2 0 "[ . 1 . ]" 1
388 1 76 ILE HA 1 76 ILE MD 2.900 . 3.900 3.298 2.201 3.562 . 0 0 "[ . 1 . ]" 1
389 1 76 ILE HB 1 76 ILE MD 2.500 . 3.300 3.076 2.321 3.222 . 0 0 "[ . 1 . ]" 1
390 1 76 ILE MD 1 77 THR HB 3.500 . 5.000 4.930 4.816 5.045 0.045 6 0 "[ . 1 . ]" 1
391 1 77 THR H 1 78 SER H 4.300 . 6.000 4.421 4.305 4.528 . 0 0 "[ . 1 . ]" 1
392 1 77 THR H 1 77 THR HB 2.900 . 4.000 3.702 3.583 3.826 . 0 0 "[ . 1 . ]" 1
393 1 77 THR HB 1 101 PHE H 3.400 . 4.800 4.343 4.010 4.514 . 0 0 "[ . 1 . ]" 1
394 1 70 PHE HB2 1 77 THR HB 4.100 . 6.000 5.522 5.096 6.036 0.036 16 0 "[ . 1 . ]" 1
395 1 77 THR H 1 77 THR HA 2.900 . 3.900 2.951 2.938 2.962 . 0 0 "[ . 1 . ]" 1
396 1 77 THR HA 1 77 THR HB 2.600 . 3.400 2.521 2.449 2.651 . 0 0 "[ . 1 . ]" 1
397 1 77 THR HB 1 79 ALA MB 3.200 . 4.500 4.274 4.002 4.587 0.087 5 0 "[ . 1 . ]" 1
398 1 77 THR HB 1 77 THR MG 2.400 . 3.100 2.122 2.117 2.129 . 0 0 "[ . 1 . ]" 1
399 1 77 THR MG 1 87 ILE H 3.700 . 5.400 4.505 3.640 4.893 . 0 0 "[ . 1 . ]" 1
400 1 77 THR MG 1 86 ASP HB2 3.100 . 4.300 2.876 2.106 3.421 . 0 0 "[ . 1 . ]" 1
401 1 77 THR MG 1 87 ILE MG 2.800 . 3.800 3.342 3.230 3.488 . 0 0 "[ . 1 . ]" 1
402 1 77 THR MG 1 87 ILE MD 4.300 . 6.000 6.086 5.820 6.206 0.206 5 0 "[ . 1 . ]" 1
403 1 77 THR MG 1 86 ASP HA 3.500 . 5.000 3.973 3.082 4.767 . 0 0 "[ . 1 . ]" 1
404 1 70 PHE QD 1 77 THR MG 3.700 . 5.400 5.214 4.387 5.563 0.163 11 0 "[ . 1 . ]" 1
405 1 77 THR HB 1 86 ASP H 3.700 . 5.400 4.644 3.277 5.511 0.111 16 0 "[ . 1 . ]" 1
406 1 74 GLN HE21 1 77 THR MG 2.800 . 3.800 2.347 1.693 2.915 0.107 18 0 "[ . 1 . ]" 1
407 1 77 THR MG 1 101 PHE H 4.400 . 6.000 4.617 4.103 5.173 . 0 0 "[ . 1 . ]" 1
408 1 77 THR MG 1 78 SER H 3.700 . 5.400 3.774 3.477 4.019 . 0 0 "[ . 1 . ]" 1
409 1 74 GLN HE21 1 78 SER H 4.800 . 6.000 4.818 4.070 5.710 . 0 0 "[ . 1 . ]" 1
410 1 76 ILE MD 1 78 SER H 3.700 . 5.400 3.641 2.963 4.926 . 0 0 "[ . 1 . ]" 1
411 1 77 THR HA 1 78 SER H 2.400 . 3.100 2.236 2.158 2.472 . 0 0 "[ . 1 . ]" 1
412 1 78 SER H 1 78 SER HB2 2.900 . 3.900 2.452 2.301 2.579 . 0 0 "[ . 1 . ]" 1
413 1 78 SER H 1 79 ALA MB 3.300 . 6.000 5.053 4.794 5.302 . 0 0 "[ . 1 . ]" 1
414 1 78 SER HA 1 78 SER HB2 2.400 . 3.100 3.019 3.005 3.031 . 0 0 "[ . 1 . ]" 1
415 1 78 SER HB2 1 80 GLY H 3.800 . 5.600 5.882 5.496 6.372 0.772 16 4 "[ * 1 - *+ ]" 1
416 1 78 SER H 1 79 ALA H 4.400 . 6.000 4.541 4.392 4.617 . 0 0 "[ . 1 . ]" 1
417 1 79 ALA MB 1 98 HIS HD2 2.100 . 2.700 2.609 2.459 2.786 0.086 9 0 "[ . 1 . ]" 1
418 1 70 PHE QD 1 79 ALA MB 2.300 . 3.000 2.809 1.729 3.015 0.015 6 0 "[ . 1 . ]" 1
419 1 79 ALA MB 1 87 ILE MD 3.400 . 4.800 3.224 3.055 3.402 . 0 0 "[ . 1 . ]" 1
420 1 79 ALA HA 1 79 ALA MB 2.200 . 2.800 2.119 2.112 2.126 . 0 0 "[ . 1 . ]" 1
421 1 79 ALA H 1 101 PHE H 4.000 . 6.000 4.454 4.122 4.747 . 0 0 "[ . 1 . ]" 1
422 1 79 ALA H 1 79 ALA HA 2.800 . 3.700 2.953 2.949 2.962 . 0 0 "[ . 1 . ]" 1
423 1 78 SER HA 1 79 ALA H 2.300 . 2.900 2.199 2.147 2.234 . 0 0 "[ . 1 . ]" 1
424 1 78 SER HB2 1 79 ALA H 3.500 . 5.000 4.235 4.096 4.376 . 0 0 "[ . 1 . ]" 1
425 1 79 ALA H 1 79 ALA MB 2.300 . 2.900 2.417 2.377 2.459 . 0 0 "[ . 1 . ]" 1
426 1 79 ALA H 1 87 ILE MG 3.500 . 5.000 3.461 3.326 3.630 . 0 0 "[ . 1 . ]" 1
427 1 79 ALA MB 1 82 HIS HD2 4.500 . 6.000 4.748 4.072 5.824 . 0 0 "[ . 1 . ]" 1
428 1 79 ALA HA 1 87 ILE MG 2.500 . 3.300 1.798 1.689 1.974 0.011 9 0 "[ . 1 . ]" 1
429 1 79 ALA HA 1 80 GLY H 2.200 . 2.800 2.195 2.162 2.228 . 0 0 "[ . 1 . ]" 1
430 1 80 GLY H 1 80 GLY HA2 2.600 . 3.500 2.662 2.574 2.762 . 0 0 "[ . 1 . ]" 1
431 1 80 GLY H 1 80 GLY HA3 2.700 . 3.600 2.903 2.851 2.943 . 0 0 "[ . 1 . ]" 1
432 1 79 ALA H 1 80 GLY H 4.000 . 6.000 4.284 4.141 4.451 . 0 0 "[ . 1 . ]" 1
433 1 80 GLY HA2 1 81 ARG H 3.100 . 4.300 3.153 2.934 3.481 . 0 0 "[ . 1 . ]" 1
434 1 80 GLY HA3 1 81 ARG H 2.400 . 3.100 2.176 2.096 2.270 . 0 0 "[ . 1 . ]" 1
435 1 81 ARG H 1 82 HIS H 3.900 . 5.800 4.265 3.998 4.445 . 0 0 "[ . 1 . ]" 1
436 1 81 ARG HE 1 94 VAL QG 4.500 . 6.000 4.899 4.308 5.251 . 0 0 "[ . 1 . ]" 1
437 1 81 ARG HE 1 92 VAL HA 3.900 . 5.800 4.567 3.786 5.197 . 0 0 "[ . 1 . ]" 1
438 1 81 ARG H 1 94 VAL HB 2.500 . 6.000 2.362 1.359 4.686 . 0 0 "[ . 1 . ]" 1
439 1 81 ARG HA 1 96 ARG HG2 3.800 . 6.000 6.556 5.421 8.688 2.688 7 6 "[ * * + *-* . ]" 1
440 1 81 ARG HA 1 81 ARG HB2 2.400 . 3.100 2.305 2.237 2.376 . 0 0 "[ . 1 . ]" 1
441 1 81 ARG HB2 1 81 ARG HD2 3.500 . 5.000 3.498 3.263 3.710 . 0 0 "[ . 1 . ]" 1
442 1 81 ARG HB2 1 81 ARG HG2 2.400 . 3.100 2.716 2.629 2.815 . 0 0 "[ . 1 . ]" 1
443 1 81 ARG HA 1 81 ARG HG2 2.900 . 3.900 2.732 2.591 2.897 . 0 0 "[ . 1 . ]" 1
444 1 81 ARG HA 1 81 ARG HD2 3.200 . 4.500 4.160 3.882 4.315 . 0 0 "[ . 1 . ]" 1
445 1 81 ARG HD2 1 81 ARG HG2 2.400 . 3.100 2.688 2.526 2.876 . 0 0 "[ . 1 . ]" 1
446 1 81 ARG HD2 1 96 ARG HE 3.500 . 5.000 5.094 3.823 5.521 0.521 4 2 "[ +. 1 .- ]" 1
447 1 81 ARG HD2 1 82 HIS HA 3.100 . 4.300 4.219 3.482 4.898 0.598 12 2 "[ . - + . ]" 1
448 1 81 ARG HD2 1 96 ARG HA 2.700 . 3.600 1.828 1.400 2.278 0.400 16 0 "[ . 1 . ]" 1
449 1 81 ARG HB2 1 88 PHE HA 3.800 . 6.000 6.096 5.839 6.230 0.230 15 0 "[ . 1 . ]" 1
450 1 81 ARG HB2 1 97 ARG HA 4.600 . 6.000 6.035 5.520 6.222 0.222 3 0 "[ . 1 . ]" 1
451 1 81 ARG H 1 96 ARG HA 3.000 . 4.100 3.291 2.920 3.819 . 0 0 "[ . 1 . ]" 1
452 1 81 ARG H 1 94 VAL QG 3.200 . 3.600 2.480 1.742 3.022 0.258 14 0 "[ . 1 . ]" 1
453 1 82 HIS H 1 94 VAL QG 4.400 . 6.000 4.920 4.586 5.191 . 0 0 "[ . 1 . ]" 1
454 1 82 HIS HD1 1 83 PRO HB2 4.700 . 6.000 6.110 5.610 6.875 0.875 13 1 "[ . 1 + . ]" 1
455 1 82 HIS H 1 82 HIS HA 2.600 . 3.400 2.919 2.899 2.932 . 0 0 "[ . 1 . ]" 1
456 1 82 HIS H 1 83 PRO HD2 4.300 . 6.000 5.016 4.683 5.191 . 0 0 "[ . 1 . ]" 1
457 1 81 ARG HD2 1 82 HIS H 3.800 . 5.600 4.795 4.229 5.179 . 0 0 "[ . 1 . ]" 1
458 1 82 HIS HA 1 82 HIS HB2 3.000 . 4.100 2.955 2.768 3.034 . 0 0 "[ . 1 . ]" 1
459 1 82 HIS H 1 82 HIS HB2 2.900 . 4.000 2.673 2.525 2.739 . 0 0 "[ . 1 . ]" 1
460 1 83 PRO HA 1 88 PHE QD 3.100 . 4.300 4.367 4.317 4.406 0.106 19 0 "[ . 1 . ]" 1
461 1 82 HIS HA 1 83 PRO HD2 2.800 . 3.800 2.437 2.049 2.646 . 0 0 "[ . 1 . ]" 1
462 1 83 PRO HA 1 83 PRO HG2 3.400 . 4.800 3.976 3.728 4.062 . 0 0 "[ . 1 . ]" 1
463 1 83 PRO HD2 1 83 PRO HG2 2.300 . 3.000 2.325 2.311 2.348 . 0 0 "[ . 1 . ]" 1
464 1 83 PRO HB2 1 83 PRO HG2 2.200 . 2.800 2.310 2.287 2.328 . 0 0 "[ . 1 . ]" 1
465 1 83 PRO HB2 1 83 PRO HD2 2.900 . 4.000 2.990 2.862 4.056 0.056 13 0 "[ . 1 . ]" 1
466 1 83 PRO HA 1 85 SER H 3.900 . 6.000 5.438 4.431 6.108 0.108 9 0 "[ . 1 . ]" 1
467 1 83 PRO HA 1 84 ASP H 3.700 . 5.400 3.454 2.630 3.612 . 0 0 "[ . 1 . ]" 1
468 1 83 PRO HG2 1 84 ASP H 3.500 . 5.100 3.805 2.694 4.878 . 0 0 "[ . 1 . ]" 1
469 1 84 ASP HA 1 85 SER H 2.700 . 3.600 2.476 2.066 3.499 . 0 0 "[ . 1 . ]" 1
470 1 85 SER H 1 88 PHE QD 4.000 . 6.000 3.234 2.495 4.030 . 0 0 "[ . 1 . ]" 1
471 1 85 SER H 1 85 SER HA 3.000 . 4.100 2.855 2.398 2.930 . 0 0 "[ . 1 . ]" 1
472 1 85 SER HA 1 87 ILE H 3.700 . 6.000 5.480 4.475 6.189 0.189 4 0 "[ . 1 . ]" 1
473 1 85 SER H 1 85 SER HG 2.900 . 4.000 3.730 3.050 4.142 0.142 12 0 "[ . 1 . ]" 1
474 1 78 SER H 1 86 ASP H 3.900 . 5.800 4.257 2.779 5.865 0.065 9 0 "[ . 1 . ]" 1
475 1 86 ASP H 1 87 ILE MG 4.600 . 6.000 4.027 3.377 5.246 . 0 0 "[ . 1 . ]" 1
476 1 86 ASP H 1 87 ILE H 3.000 . 4.100 2.711 1.962 4.135 0.035 16 0 "[ . 1 . ]" 1
477 1 85 SER H 1 86 ASP H 3.400 . 4.900 3.469 2.293 4.428 . 0 0 "[ . 1 . ]" 1
478 1 85 SER HA 1 86 ASP H 2.900 . 3.900 3.111 2.096 3.597 . 0 0 "[ . 1 . ]" 1
479 1 86 ASP H 1 86 ASP HB2 3.100 . 4.300 2.981 2.249 3.672 . 0 0 "[ . 1 . ]" 1
480 1 77 THR HA 1 86 ASP HB2 3.900 . 5.800 3.624 3.110 4.423 . 0 0 "[ . 1 . ]" 1
481 1 78 SER H 1 87 ILE H 4.200 . 6.000 4.273 3.425 4.709 . 0 0 "[ . 1 . ]" 1
482 1 79 ALA HA 1 87 ILE HB 3.600 . 5.200 3.929 3.845 4.048 . 0 0 "[ . 1 . ]" 1
483 1 70 PHE QE 1 87 ILE HA 4.400 . 6.000 6.120 6.009 6.229 0.229 15 0 "[ . 1 . ]" 1
484 1 87 ILE MG 1 89 LEU MD2 4.200 . 6.000 4.473 3.710 5.704 . 0 0 "[ . 1 . ]" 1
485 1 82 HIS HB2 1 87 ILE MG 3.400 . 4.900 4.983 4.475 5.204 0.304 15 0 "[ . 1 . ]" 1
486 1 87 ILE MG 1 98 HIS HD2 3.500 . 5.000 5.256 5.165 5.359 0.359 16 0 "[ . 1 . ]" 1
487 1 70 PHE QD 1 87 ILE MG 3.100 . 4.300 2.946 1.787 3.140 0.113 15 0 "[ . 1 . ]" 1
488 1 58 LEU MD2 1 87 ILE MD 3.500 . 5.000 5.169 4.868 5.300 0.300 10 0 "[ . 1 . ]" 1
489 1 79 ALA HA 1 87 ILE MD 3.900 . 5.800 3.831 3.745 3.970 . 0 0 "[ . 1 . ]" 1
490 1 70 PHE QE 1 87 ILE MD 2.600 . 3.400 2.499 2.310 3.172 . 0 0 "[ . 1 . ]" 1
491 1 87 ILE HA 1 87 ILE HB 2.800 . 3.800 2.234 2.209 2.264 . 0 0 "[ . 1 . ]" 1
492 1 87 ILE HA 1 87 ILE HG12 3.300 . 4.600 4.034 3.949 4.102 . 0 0 "[ . 1 . ]" 1
493 1 87 ILE HA 1 87 ILE MG 3.000 . 4.100 3.096 3.040 3.148 . 0 0 "[ . 1 . ]" 1
494 1 87 ILE HA 1 87 ILE MD 2.600 . 3.400 2.678 2.446 2.863 . 0 0 "[ . 1 . ]" 1
495 1 87 ILE HB 1 87 ILE HG12 2.400 . 3.100 2.613 2.528 2.667 . 0 0 "[ . 1 . ]" 1
496 1 87 ILE HB 1 87 ILE MD 2.400 . 3.100 2.274 2.216 2.325 . 0 0 "[ . 1 . ]" 1
497 1 87 ILE HB 1 87 ILE MG 2.300 . 2.900 2.094 2.064 2.109 . 0 0 "[ . 1 . ]" 1
498 1 87 ILE MD 1 87 ILE MG 2.800 . 3.800 3.136 3.063 3.217 . 0 0 "[ . 1 . ]" 1
499 1 87 ILE MD 1 87 ILE HG12 2.000 . 2.500 2.105 2.101 2.111 . 0 0 "[ . 1 . ]" 1
500 1 79 ALA MB 1 87 ILE MG 1.900 . 2.300 1.728 1.578 1.879 . 0 0 "[ . 1 . ]" 1
501 1 87 ILE MD 1 89 LEU MD2 2.000 . 2.500 1.865 1.486 2.613 0.113 10 0 "[ . 1 . ]" 1
502 1 87 ILE HA 1 88 PHE H 2.300 . 2.900 2.126 2.060 2.199 . 0 0 "[ . 1 . ]" 1
503 1 77 THR HB 1 87 ILE MG 2.800 . 3.800 2.280 2.083 2.422 . 0 0 "[ . 1 . ]" 1
504 1 87 ILE MD 1 88 PHE QE 3.800 . 5.600 5.468 5.116 5.704 0.104 14 0 "[ . 1 . ]" 1
505 1 79 ALA H 1 87 ILE MD 4.900 . 6.000 6.064 5.966 6.159 0.159 8 0 "[ . 1 . ]" 1
506 1 79 ALA HA 1 87 ILE H 3.500 . 5.000 3.443 3.157 3.638 . 0 0 "[ . 1 . ]" 1
507 1 86 ASP HA 1 87 ILE H 3.500 . 5.000 3.532 3.412 3.558 . 0 0 "[ . 1 . ]" 1
508 1 87 ILE H 1 87 ILE HA 2.700 . 3.600 2.935 2.908 2.946 . 0 0 "[ . 1 . ]" 1
509 1 86 ASP HB2 1 87 ILE H 2.600 . 3.500 2.236 1.660 3.600 0.100 1 0 "[ . 1 . ]" 1
510 1 87 ILE H 1 87 ILE HB 3.000 . 4.100 3.476 3.169 3.648 . 0 0 "[ . 1 . ]" 1
511 1 79 ALA MB 1 87 ILE H 3.900 . 5.800 4.408 4.247 4.553 . 0 0 "[ . 1 . ]" 1
512 1 87 ILE H 1 87 ILE MG 2.600 . 3.400 1.957 1.802 2.136 . 0 0 "[ . 1 . ]" 1
513 1 87 ILE H 1 87 ILE MD 3.700 . 5.400 4.530 4.399 4.638 . 0 0 "[ . 1 . ]" 1
514 1 87 ILE HB 1 88 PHE H 4.600 . 6.000 4.126 3.856 4.356 . 0 0 "[ . 1 . ]" 1
515 1 88 PHE H 1 88 PHE QD 2.800 . 3.800 2.246 2.005 2.831 . 0 0 "[ . 1 . ]" 1
516 1 88 PHE H 1 88 PHE HA 2.900 . 3.900 2.939 2.924 2.952 . 0 0 "[ . 1 . ]" 1
517 1 87 ILE MD 1 88 PHE H 2.800 . 3.800 3.135 2.616 3.766 . 0 0 "[ . 1 . ]" 1
518 1 88 PHE HA 1 88 PHE QD 3.300 . 4.700 3.600 3.216 3.673 . 0 0 "[ . 1 . ]" 1
519 1 88 PHE HA 1 89 LEU H 2.300 . 3.000 2.136 2.103 2.184 . 0 0 "[ . 1 . ]" 1
520 1 88 PHE HA 1 88 PHE HB2 2.700 . 3.600 2.773 2.614 2.990 . 0 0 "[ . 1 . ]" 1
521 1 88 PHE HB2 1 88 PHE QD 2.900 . 3.900 2.627 2.440 2.758 . 0 0 "[ . 1 . ]" 1
522 1 88 PHE QD 1 89 LEU MD2 3.900 . 5.800 4.420 3.693 5.045 . 0 0 "[ . 1 . ]" 1
523 1 80 GLY H 1 89 LEU H 3.200 . 4.500 3.720 3.398 3.998 . 0 0 "[ . 1 . ]" 1
524 1 88 PHE QD 1 89 LEU H 3.600 . 5.200 4.703 4.411 4.967 . 0 0 "[ . 1 . ]" 1
525 1 80 GLY HA2 1 89 LEU H 3.000 . 4.100 3.759 3.297 4.153 0.053 7 0 "[ . 1 . ]" 1
526 1 89 LEU H 1 89 LEU HA 2.700 . 3.600 2.942 2.925 2.952 . 0 0 "[ . 1 . ]" 1
527 1 89 LEU H 1 89 LEU HB2 2.700 . 3.600 2.458 2.344 2.583 . 0 0 "[ . 1 . ]" 1
528 1 89 LEU H 1 89 LEU MD2 3.300 . 4.600 2.901 2.347 3.691 . 0 0 "[ . 1 . ]" 1
529 1 87 ILE MD 1 89 LEU H 3.700 . 5.400 4.325 3.783 4.846 . 0 0 "[ . 1 . ]" 1
530 1 87 ILE MD 1 89 LEU MD1 2.900 . 4.000 2.663 1.694 3.639 0.106 8 0 "[ . 1 . ]" 1
531 1 69 ARG HE 1 89 LEU MD2 1.900 . 6.000 5.974 5.513 6.494 0.494 8 0 "[ . 1 . ]" 1
532 1 87 ILE MD 1 89 LEU HG 2.500 . 3.300 2.948 1.701 3.506 0.206 12 0 "[ . 1 . ]" 1
533 1 89 LEU HG 1 139 ILE MG 3.500 . 5.000 4.154 3.597 5.076 0.076 4 0 "[ . 1 . ]" 1
534 1 89 LEU HA 1 89 LEU HG 3.100 . 4.300 3.507 2.972 3.699 . 0 0 "[ . 1 . ]" 1
535 1 89 LEU HA 1 89 LEU MD2 2.200 . 2.800 2.391 1.613 3.192 0.392 15 0 "[ . 1 . ]" 1
536 1 89 LEU MD1 1 89 LEU MD2 2.100 . 2.700 2.074 2.051 2.100 . 0 0 "[ . 1 . ]" 1
537 1 89 LEU HB2 1 89 LEU MD2 3.600 . 5.200 2.574 2.197 3.161 . 0 0 "[ . 1 . ]" 1
538 1 89 LEU MD2 1 89 LEU HG 2.300 . 2.900 2.111 2.093 2.121 . 0 0 "[ . 1 . ]" 1
539 1 89 LEU MD1 1 89 LEU HG 2.300 . 3.000 2.119 2.100 2.137 . 0 0 "[ . 1 . ]" 1
540 1 80 GLY H 1 89 LEU HG 3.500 . 5.000 4.805 4.008 5.171 0.171 16 0 "[ . 1 . ]" 1
541 1 65 ASN HD22 1 89 LEU MD2 4.300 . 6.000 4.750 3.294 6.189 0.189 3 0 "[ . 1 . ]" 1
542 1 89 LEU HA 1 142 PHE QE 3.700 . 5.400 3.849 3.048 4.465 . 0 0 "[ . 1 . ]" 1
543 1 90 ASP H 1 90 ASP HA 2.700 . 3.600 2.272 2.256 2.285 . 0 0 "[ . 1 . ]" 1
544 1 90 ASP HA 1 90 ASP HB2 2.500 . 3.300 2.514 2.462 2.590 . 0 0 "[ . 1 . ]" 1
545 1 90 ASP H 1 90 ASP HB2 2.900 . 4.000 3.195 3.081 3.294 . 0 0 "[ . 1 . ]" 1
546 1 89 LEU HA 1 90 ASP H 2.200 . 2.800 2.333 2.188 2.430 . 0 0 "[ . 1 . ]" 1
547 1 89 LEU MD2 1 90 ASP H 3.700 . 5.400 4.177 3.377 4.782 . 0 0 "[ . 1 . ]" 1
548 1 91 ASP H 1 94 VAL H 4.500 . 6.000 5.419 4.554 6.001 0.001 17 0 "[ . 1 . ]" 1
549 1 81 ARG H 1 91 ASP HA 4.300 . 6.000 4.404 4.177 4.789 . 0 0 "[ . 1 . ]" 1
550 1 80 GLY H 1 91 ASP HA 4.100 . 6.000 6.194 5.854 6.340 0.340 6 0 "[ . 1 . ]" 1
551 1 91 ASP HB2 1 94 VAL QG 4.100 . 6.000 5.927 5.506 6.092 0.092 2 0 "[ . 1 . ]" 1
552 1 91 ASP HA 1 91 ASP HB2 2.700 . 3.600 2.442 2.381 2.514 . 0 0 "[ . 1 . ]" 1
553 1 90 ASP H 1 91 ASP H 2.800 . 3.800 2.691 2.567 3.012 . 0 0 "[ . 1 . ]" 1
554 1 91 ASP H 1 92 VAL H 3.000 . 4.100 3.000 2.544 3.861 . 0 0 "[ . 1 . ]" 1
555 1 88 PHE QD 1 91 ASP H 3.200 . 6.000 5.575 4.793 6.021 0.021 6 0 "[ . 1 . ]" 1
556 1 90 ASP HA 1 91 ASP H 2.500 . 3.300 3.250 2.993 3.416 0.116 1 0 "[ . 1 . ]" 1
557 1 89 LEU HA 1 91 ASP H 3.400 . 4.900 3.760 3.596 3.958 . 0 0 "[ . 1 . ]" 1
558 1 91 ASP H 1 91 ASP HB2 3.400 . 4.800 3.722 3.106 4.007 . 0 0 "[ . 1 . ]" 1
559 1 89 LEU H 1 91 ASP HB2 4.700 . 6.000 5.213 4.197 5.866 . 0 0 "[ . 1 . ]" 1
560 1 91 ASP HB2 1 92 VAL H 3.600 . 5.300 4.360 3.053 4.572 . 0 0 "[ . 1 . ]" 1
561 1 91 ASP HA 1 92 VAL H 2.700 . 3.600 2.920 2.705 3.516 . 0 0 "[ . 1 . ]" 1
562 1 92 VAL HA 1 94 VAL H 4.000 . 6.000 4.028 3.307 4.755 . 0 0 "[ . 1 . ]" 1
563 1 23 SER HB2 1 92 VAL QG 2.500 . 3.300 2.038 1.810 2.757 . 0 0 "[ . 1 . ]" 1
564 1 92 VAL QG 1 93 THR HA 3.400 . 4.800 3.478 3.244 3.713 . 0 0 "[ . 1 . ]" 1
565 1 92 VAL QG 1 93 THR H 3.000 . 4.200 3.488 3.005 3.747 . 0 0 "[ . 1 . ]" 1
566 1 92 VAL QG 1 94 VAL H 4.100 . 6.000 4.610 4.369 5.008 . 0 0 "[ . 1 . ]" 1
567 1 23 SER HB2 1 92 VAL HB 4.300 . 6.000 4.504 4.070 4.966 . 0 0 "[ . 1 . ]" 1
568 1 81 ARG HB2 1 92 VAL H 3.400 . 4.800 3.564 3.043 4.541 . 0 0 "[ . 1 . ]" 1
569 1 92 VAL HA 1 92 VAL HB 2.400 . 3.100 2.699 2.409 3.022 . 0 0 "[ . 1 . ]" 1
570 1 92 VAL HA 1 92 VAL QG 2.700 . 3.000 2.208 2.120 2.295 . 0 0 "[ . 1 . ]" 1
571 1 92 VAL HB 1 92 VAL QG 2.000 . 2.500 1.893 1.879 1.901 . 0 0 "[ . 1 . ]" 1
572 1 91 ASP HA 1 92 VAL HB 3.400 . 4.900 5.072 4.844 5.378 0.478 8 0 "[ . 1 . ]" 1
573 1 92 VAL H 1 92 VAL HB 2.600 . 3.400 2.940 2.450 3.467 0.067 14 0 "[ . 1 . ]" 1
574 1 92 VAL HB 1 94 VAL H 5.000 . 6.000 5.763 5.414 6.054 0.054 18 0 "[ . 1 . ]" 1
575 1 91 ASP HA 1 92 VAL QG 3.400 . 6.000 4.444 4.110 4.824 . 0 0 "[ . 1 . ]" 1
576 1 23 SER H 1 92 VAL QG 2.100 . 2.600 2.564 1.699 2.803 0.203 6 0 "[ . 1 . ]" 1
577 1 91 ASP H 1 93 THR H 4.000 . 6.000 4.296 3.636 5.072 . 0 0 "[ . 1 . ]" 1
578 1 93 THR HB 1 142 PHE QD 4.700 . 6.000 5.398 4.458 6.027 0.027 3 0 "[ . 1 . ]" 1
579 1 93 THR HB 1 94 VAL H 3.300 . 4.700 4.385 3.970 4.633 . 0 0 "[ . 1 . ]" 1
580 1 93 THR MG 1 142 PHE QD 3.300 . 4.700 4.317 3.856 4.689 . 0 0 "[ . 1 . ]" 1
581 1 65 ASN H 1 93 THR MG 3.500 . 5.000 4.318 4.183 4.473 . 0 0 "[ . 1 . ]" 1
582 1 93 THR MG 1 141 LYS HE2 2.800 . 3.800 2.918 1.679 3.847 0.121 9 0 "[ . 1 . ]" 1
583 1 93 THR HB 1 140 GLY HA2 3.400 . 4.800 4.532 3.376 4.934 0.134 3 0 "[ . 1 . ]" 1
584 1 93 THR HA 1 93 THR HB 2.400 . 3.100 2.313 2.208 2.450 . 0 0 "[ . 1 . ]" 1
585 1 93 THR HB 1 93 THR MG 2.200 . 2.800 2.145 2.137 2.156 . 0 0 "[ . 1 . ]" 1
586 1 93 THR H 1 94 VAL H 2.200 . 2.800 1.957 1.550 2.195 0.050 3 0 "[ . 1 . ]" 1
587 1 81 ARG HE 1 94 VAL H 3.800 . 5.600 4.381 3.843 4.777 . 0 0 "[ . 1 . ]" 1
588 1 94 VAL H 1 94 VAL HB 2.700 . 3.600 3.024 2.719 3.631 0.031 17 0 "[ . 1 . ]" 1
589 1 94 VAL H 1 94 VAL QG 2.300 . 2.900 2.318 1.954 2.572 . 0 0 "[ . 1 . ]" 1
590 1 94 VAL QG 1 139 ILE MD 2.900 . 4.000 2.757 2.192 3.342 . 0 0 "[ . 1 . ]" 1
591 1 89 LEU MD2 1 94 VAL QG 3.900 . 5.800 3.714 2.596 4.881 . 0 0 "[ . 1 . ]" 1
592 1 94 VAL QG 1 140 GLY HA3 2.600 . 3.400 2.149 1.753 2.823 0.047 2 0 "[ . 1 . ]" 1
593 1 94 VAL QG 1 140 GLY HA2 3.000 . 4.100 2.660 1.886 3.264 0.014 10 0 "[ . 1 . ]" 1
594 1 94 VAL QG 1 142 PHE QE 2.500 . 3.300 2.716 2.111 3.349 0.049 9 0 "[ . 1 . ]" 1
595 1 80 GLY HA3 1 94 VAL QG 2.600 . 3.400 2.133 1.729 2.427 0.071 10 0 "[ . 1 . ]" 1
596 1 80 GLY HA2 1 94 VAL QG 2.200 . 2.800 2.015 1.862 2.147 . 0 0 "[ . 1 . ]" 1
597 1 94 VAL QG 1 98 HIS H 3.000 . 4.100 2.347 2.003 2.654 . 0 0 "[ . 1 . ]" 1
598 1 94 VAL QG 1 95 SER H 3.000 . 4.100 2.234 1.973 2.450 0.027 12 0 "[ . 1 . ]" 1
599 1 94 VAL HA 1 95 SER H 2.500 . 3.300 2.302 2.227 2.414 . 0 0 "[ . 1 . ]" 1
600 1 94 VAL HA 1 116 LEU H 2.600 . 3.500 2.321 1.762 2.924 . 0 0 "[ . 1 . ]" 1
601 1 93 THR HB 1 94 VAL QG 3.400 . 4.800 3.919 3.216 4.341 . 0 0 "[ . 1 . ]" 1
602 1 94 VAL QG 1 139 ILE HA 3.600 . 5.200 4.139 3.916 4.415 . 0 0 "[ . 1 . ]" 1
603 1 94 VAL HA 1 94 VAL QG 2.500 . 3.300 2.212 2.109 2.568 . 0 0 "[ . 1 . ]" 1
604 1 94 VAL MG1 1 94 VAL MG2 1.900 . 2.300 2.080 2.063 2.097 . 0 0 "[ . 1 . ]" 1
605 1 94 VAL QG 1 140 GLY H 3.700 . 5.400 3.201 2.952 3.703 . 0 0 "[ . 1 . ]" 1
606 1 94 VAL QG 1 98 HIS HB2 3.200 . 4.500 2.949 2.551 3.212 . 0 0 "[ . 1 . ]" 1
607 1 95 SER H 1 116 LEU H 3.400 . 4.900 1.972 1.868 2.350 0.032 8 0 "[ . 1 . ]" 1
608 1 95 SER H 1 96 ARG H 3.900 . 5.900 3.915 3.739 4.026 . 0 0 "[ . 1 . ]" 1
609 1 95 SER HA 1 96 ARG H 2.700 . 3.600 2.333 2.227 2.418 . 0 0 "[ . 1 . ]" 1
610 1 82 HIS HA 1 96 ARG H 4.400 . 6.000 6.181 6.064 6.340 0.340 3 0 "[ . 1 . ]" 1
611 1 81 ARG HG2 1 96 ARG H 4.200 . 6.000 4.495 4.273 4.830 . 0 0 "[ . 1 . ]" 1
612 1 78 SER HA 1 96 ARG HE 4.100 . 6.000 6.423 6.098 8.165 2.165 11 2 "[ - 1+ . ]" 1
613 1 82 HIS HA 1 96 ARG HE 4.400 . 6.000 4.371 3.252 6.313 0.313 9 0 "[ . 1 . ]" 1
614 1 96 ARG HD2 1 96 ARG HE 2.800 . 3.700 2.767 2.337 2.942 . 0 0 "[ . 1 . ]" 1
615 1 96 ARG HE 1 97 ARG HB2 2.800 . 6.000 5.458 2.847 6.884 0.884 11 4 "[ * . -+* . ]" 1
616 1 96 ARG HD2 1 96 ARG HG2 2.600 . 3.400 2.655 2.230 3.016 . 0 0 "[ . 1 . ]" 1
617 1 82 HIS HE1 1 96 ARG HE 2.500 . 3.300 2.537 1.685 3.334 0.034 9 0 "[ . 1 . ]" 1
618 1 82 HIS HD1 1 96 ARG H 4.100 . 6.000 6.116 5.919 6.268 0.268 8 0 "[ . 1 . ]" 1
619 1 81 ARG HE 1 96 ARG H 2.900 . 4.000 2.354 1.735 3.122 0.065 8 0 "[ . 1 . ]" 1
620 1 82 HIS HA 1 96 ARG HD2 3.600 . 5.300 5.832 4.805 6.492 1.192 15 11 "[ *** *****+-* ]" 1
621 1 85 SER HG 1 96 ARG HD2 3.500 . 6.000 5.926 4.867 6.364 0.364 4 0 "[ . 1 . ]" 1
622 1 96 ARG HD2 1 97 ARG H 3.400 . 4.900 4.377 3.561 5.095 0.195 7 0 "[ . 1 . ]" 1
623 1 81 ARG H 1 96 ARG HD2 3.600 . 6.000 6.582 5.594 7.368 1.368 13 12 "[ ***- ***+**** ]" 1
624 1 82 HIS HD1 1 96 ARG HD2 3.600 . 5.200 4.056 2.649 4.742 . 0 0 "[ . 1 . ]" 1
625 1 82 HIS HE1 1 96 ARG HD2 2.700 . 3.600 2.851 1.587 3.603 0.213 19 0 "[ . 1 . ]" 1
626 1 96 ARG HD2 1 113 VAL QG 4.300 . 6.000 5.395 4.508 6.134 0.134 7 0 "[ . 1 . ]" 1
627 1 96 ARG H 1 97 ARG H 3.200 . 4.400 3.737 3.502 3.953 . 0 0 "[ . 1 . ]" 1
628 1 82 HIS HD1 1 97 ARG H 4.300 . 6.000 5.933 5.513 6.253 0.253 7 0 "[ . 1 . ]" 1
629 1 96 ARG HA 1 97 ARG H 3.700 . 5.400 3.577 3.523 3.622 . 0 0 "[ . 1 . ]" 1
630 1 94 VAL QG 1 97 ARG H 4.400 . 6.000 3.340 3.075 3.923 . 0 0 "[ . 1 . ]" 1
631 1 97 ARG H 1 113 VAL QG 3.900 . 5.800 3.832 3.548 4.158 . 0 0 "[ . 1 . ]" 1
632 1 82 HIS HE1 1 97 ARG HE 4.100 . 6.000 3.730 2.315 5.598 . 0 0 "[ . 1 . ]" 1
633 1 78 SER HA 1 97 ARG HE 3.600 . 5.200 3.091 2.212 4.386 . 0 0 "[ . 1 . ]" 1
634 1 96 ARG HD2 1 97 ARG HE 2.900 . 3.900 3.822 2.794 4.593 0.693 5 4 "[ + * 1 *- ]" 1
635 1 97 ARG HE 1 100 GLU HB2 3.300 . 4.700 4.616 3.990 4.822 0.122 11 0 "[ . 1 . ]" 1
636 1 97 ARG HB2 1 97 ARG HE 3.200 . 4.500 3.420 2.668 4.528 0.028 11 0 "[ . 1 . ]" 1
637 1 97 ARG HA 1 139 ILE MG 4.100 . 6.000 6.214 6.120 6.320 0.320 5 0 "[ . 1 . ]" 1
638 1 97 ARG H 1 98 HIS H 4.000 . 6.000 4.217 4.053 4.318 . 0 0 "[ . 1 . ]" 1
639 1 98 HIS H 1 98 HIS HD2 5.100 . 6.000 3.623 3.262 4.024 . 0 0 "[ . 1 . ]" 1
640 1 79 ALA H 1 98 HIS H 4.500 . 6.000 4.293 3.787 4.586 . 0 0 "[ . 1 . ]" 1
641 1 80 GLY HA3 1 98 HIS H 3.200 . 4.500 2.634 2.453 2.841 . 0 0 "[ . 1 . ]" 1
642 1 97 ARG HB2 1 98 HIS H 3.400 . 4.800 3.246 2.701 4.248 . 0 0 "[ . 1 . ]" 1
643 1 98 HIS HA 1 115 SER HB2 3.100 . 4.300 2.535 1.862 4.348 0.048 18 0 "[ . 1 . ]" 1
644 1 98 HIS HE1 1 99 ALA MB 2.900 . 3.900 3.093 2.878 3.398 . 0 0 "[ . 1 . ]" 1
645 1 98 HIS HB2 1 99 ALA H 4.300 . 6.000 4.000 3.911 4.066 . 0 0 "[ . 1 . ]" 1
646 1 98 HIS HA 1 98 HIS HB2 2.800 . 3.800 2.268 2.260 2.279 . 0 0 "[ . 1 . ]" 1
647 1 98 HIS HD2 1 137 VAL QG 3.300 . 4.600 4.064 3.545 4.408 . 0 0 "[ . 1 . ]" 1
648 1 79 ALA H 1 99 ALA H 3.400 . 4.800 3.586 3.279 3.862 . 0 0 "[ . 1 . ]" 1
649 1 99 ALA H 1 100 GLU H 3.800 . 5.600 4.241 4.074 4.298 . 0 0 "[ . 1 . ]" 1
650 1 98 HIS H 1 99 ALA H 2.400 . 3.100 2.255 2.085 2.455 . 0 0 "[ . 1 . ]" 1
651 1 98 HIS HE1 1 99 ALA H 3.700 . 5.400 5.503 5.428 5.631 0.231 1 0 "[ . 1 . ]" 1
652 1 80 GLY HA3 1 99 ALA H 4.600 . 6.000 4.572 4.387 4.732 . 0 0 "[ . 1 . ]" 1
653 1 99 ALA H 1 99 ALA MB 2.500 . 3.300 2.690 2.620 2.793 . 0 0 "[ . 1 . ]" 1
654 1 99 ALA MB 1 112 ASP HA 2.700 . 3.600 2.673 1.788 3.218 0.012 15 0 "[ . 1 . ]" 1
655 1 99 ALA MB 1 113 VAL H 3.300 . 4.700 3.886 2.868 4.489 . 0 0 "[ . 1 . ]" 1
656 1 99 ALA MB 1 111 VAL H 2.600 . 3.400 2.195 1.777 2.876 0.023 19 0 "[ . 1 . ]" 1
657 1 99 ALA H 1 99 ALA HA 2.900 . 3.900 2.860 2.795 2.891 . 0 0 "[ . 1 . ]" 1
658 1 99 ALA HA 1 100 GLU H 2.400 . 3.100 2.328 2.107 2.529 . 0 0 "[ . 1 . ]" 1
659 1 99 ALA HA 1 139 ILE MG 4.200 . 6.000 6.226 6.143 6.330 0.330 11 0 "[ . 1 . ]" 1
660 1 99 ALA MB 1 139 ILE MG 3.100 . 4.300 3.924 3.816 4.058 . 0 0 "[ . 1 . ]" 1
661 1 99 ALA MB 1 113 VAL QG 3.100 . 4.300 3.550 3.178 3.863 . 0 0 "[ . 1 . ]" 1
662 1 99 ALA HA 1 99 ALA MB 2.300 . 3.000 2.123 2.107 2.135 . 0 0 "[ . 1 . ]" 1
663 1 98 HIS HD1 1 99 ALA MB 3.400 . 4.800 3.513 3.169 3.821 . 0 0 "[ . 1 . ]" 1
664 1 100 GLU H 1 101 PHE H 3.900 . 5.800 4.236 4.122 4.382 . 0 0 "[ . 1 . ]" 1
665 1 100 GLU H 1 113 VAL H 4.100 . 6.000 5.231 4.924 5.782 . 0 0 "[ . 1 . ]" 1
666 1 100 GLU H 1 110 VAL HA 3.700 . 5.500 4.106 3.582 4.699 . 0 0 "[ . 1 . ]" 1
667 1 99 ALA MB 1 100 GLU H 2.600 . 3.400 2.389 2.018 3.010 . 0 0 "[ . 1 . ]" 1
668 1 100 GLU H 1 111 VAL HA 4.300 . 6.000 4.713 4.387 5.108 . 0 0 "[ . 1 . ]" 1
669 1 76 ILE MD 1 100 GLU HB2 2.500 . 3.300 1.774 1.652 2.121 0.048 4 0 "[ . 1 . ]" 1
670 1 78 SER HA 1 100 GLU HB2 3.600 . 5.200 3.234 2.544 3.702 . 0 0 "[ . 1 . ]" 1
671 1 100 GLU HA 1 102 ARG HA 3.700 . 6.000 6.164 6.076 6.237 0.237 4 0 "[ . 1 . ]" 1
672 1 100 GLU HA 1 101 PHE H 2.300 . 3.000 2.096 2.015 2.197 . 0 0 "[ . 1 . ]" 1
673 1 78 SER HA 1 100 GLU HG2 4.500 . 6.000 4.721 3.322 5.384 . 0 0 "[ . 1 . ]" 1
674 1 100 GLU H 1 100 GLU HG2 3.400 . 4.900 2.235 1.878 2.713 0.022 18 0 "[ . 1 . ]" 1
675 1 100 GLU HA 1 100 GLU HG2 3.200 . 4.500 3.668 3.211 3.900 . 0 0 "[ . 1 . ]" 1
676 1 100 GLU HA 1 100 GLU HB2 2.400 . 3.100 2.569 2.513 2.854 . 0 0 "[ . 1 . ]" 1
677 1 70 PHE QD 1 100 GLU HA 3.300 . 4.600 4.577 4.334 4.668 0.068 16 0 "[ . 1 . ]" 1
678 1 72 LEU QD 1 101 PHE HB2 2.900 . 4.000 2.163 1.946 2.795 . 0 0 "[ . 1 . ]" 1
679 1 101 PHE HB2 1 108 PHE QD 4.000 . 6.000 5.992 5.635 7.126 1.126 8 2 "[ . + 1 - ]" 1
680 1 101 PHE HA 1 101 PHE QD 2.700 . 3.600 2.769 2.514 2.941 . 0 0 "[ . 1 . ]" 1
681 1 72 LEU HB2 1 101 PHE HA 3.800 . 6.000 7.475 6.283 8.234 2.234 15 18 "[**-******** **+****]" 1
682 1 101 PHE HB2 1 101 PHE QD 2.700 . 3.600 2.603 2.374 2.717 . 0 0 "[ . 1 . ]" 1
683 1 58 LEU MD2 1 101 PHE HB2 3.700 . 5.400 4.685 3.678 5.330 . 0 0 "[ . 1 . ]" 1
684 1 101 PHE HA 1 101 PHE HB2 2.200 . 2.800 2.453 2.275 2.943 0.143 15 0 "[ . 1 . ]" 1
685 1 101 PHE HB2 1 109 ASN H 3.400 . 4.900 5.035 4.735 6.004 1.104 15 2 "[ . - 1 + ]" 1
686 1 101 PHE H 1 102 ARG H 4.000 . 6.000 4.158 4.008 4.265 . 0 0 "[ . 1 . ]" 1
687 1 77 THR H 1 101 PHE H 3.000 . 4.100 2.801 2.254 3.451 . 0 0 "[ . 1 . ]" 1
688 1 70 PHE QD 1 101 PHE H 2.700 . 3.600 3.563 3.067 3.724 0.124 4 0 "[ . 1 . ]" 1
689 1 101 PHE H 1 102 ARG HA 3.400 . 4.800 5.048 4.887 5.169 0.369 11 0 "[ . 1 . ]" 1
690 1 70 PHE HB2 1 101 PHE H 4.100 . 6.000 5.554 5.305 5.794 . 0 0 "[ . 1 . ]" 1
691 1 102 ARG H 1 110 VAL QG 4.500 . 6.000 4.607 4.193 5.261 . 0 0 "[ . 1 . ]" 1
692 1 102 ARG H 1 111 VAL H 3.500 . 5.000 3.711 3.410 4.131 . 0 0 "[ . 1 . ]" 1
693 1 101 PHE HA 1 102 ARG HE 3.700 . 5.500 5.713 5.571 5.904 0.404 10 0 "[ . 1 . ]" 1
694 1 102 ARG HE 1 113 VAL QG 3.800 . 5.600 5.294 4.644 5.557 . 0 0 "[ . 1 . ]" 1
695 1 102 ARG H 1 109 ASN H 2.900 . 3.900 3.102 2.809 3.389 . 0 0 "[ . 1 . ]" 1
696 1 102 ARG H 1 102 ARG HA 2.400 . 3.100 2.884 2.846 2.930 . 0 0 "[ . 1 . ]" 1
697 1 102 ARG H 1 110 VAL HA 3.200 . 4.500 3.393 3.109 3.906 . 0 0 "[ . 1 . ]" 1
698 1 102 ARG H 1 102 ARG HE 4.100 . 6.000 4.199 3.940 4.539 . 0 0 "[ . 1 . ]" 1
699 1 102 ARG H 1 103 LEU H 4.300 . 6.000 4.287 4.119 4.514 . 0 0 "[ . 1 . ]" 1
700 1 76 ILE HA 1 103 LEU H 3.800 . 5.600 3.366 2.940 3.709 . 0 0 "[ . 1 . ]" 1
701 1 75 ALA HA 1 103 LEU HG 3.700 . 5.400 5.111 2.681 5.424 0.024 11 0 "[ . 1 . ]" 1
702 1 103 LEU QD 1 106 ASN HA . . 2.500 1.565 1.447 2.263 0.453 12 0 "[ . 1 . ]" 1
703 1 103 LEU QD 1 108 PHE QD 2.400 . 3.100 2.340 1.770 3.091 0.130 19 0 "[ . 1 . ]" 1
704 1 103 LEU H 1 103 LEU QD 3.500 . 5.000 3.764 3.597 3.826 . 0 0 "[ . 1 . ]" 1
705 1 103 LEU QD 1 106 ASN HB2 4.100 . 6.000 3.899 3.486 4.186 . 0 0 "[ . 1 . ]" 1
706 1 103 LEU QD 1 108 PHE HA 3.600 . 5.200 3.648 2.016 4.199 . 0 0 "[ . 1 . ]" 1
707 1 103 LEU QD 1 109 ASN H 4.300 . 6.000 5.053 3.708 5.600 . 0 0 "[ . 1 . ]" 1
708 1 103 LEU QD 1 107 GLU HA 3.100 . 4.300 3.885 2.972 4.037 . 0 0 "[ . 1 . ]" 1
709 1 103 LEU H 1 103 LEU HB2 2.800 . 3.800 2.565 2.388 2.650 . 0 0 "[ . 1 . ]" 1
710 1 103 LEU HG 1 106 ASN HB2 3.800 . 5.600 5.689 4.784 5.857 0.257 11 0 "[ . 1 . ]" 1
711 1 103 LEU H 1 103 LEU HG 3.700 . 5.400 4.526 4.473 4.634 . 0 0 "[ . 1 . ]" 1
712 1 103 LEU QD 1 107 GLU H 3.200 . 3.500 2.941 2.505 3.098 . 0 0 "[ . 1 . ]" 1
713 1 103 LEU QD 1 104 GLU H 2.400 . 3.100 2.988 2.064 3.168 0.068 6 0 "[ . 1 . ]" 1
714 1 103 LEU QD 1 106 ASN H 2.600 . 3.500 2.301 1.980 3.187 0.020 16 0 "[ . 1 . ]" 1
715 1 103 LEU HA 1 107 GLU H 3.400 . 4.900 4.134 3.719 4.590 . 0 0 "[ . 1 . ]" 1
716 1 103 LEU HA 1 103 LEU QD 2.800 . 3.800 2.817 1.794 2.999 0.106 19 0 "[ . 1 . ]" 1
717 1 103 LEU HA 1 103 LEU HB2 2.700 . 3.600 2.525 2.486 2.622 . 0 0 "[ . 1 . ]" 1
718 1 103 LEU HB2 1 103 LEU QD . . 2.700 2.186 2.125 2.288 . 0 0 "[ . 1 . ]" 1
719 1 103 LEU HA 1 103 LEU HG 2.700 . 3.600 2.544 2.355 3.666 0.066 2 0 "[ . 1 . ]" 1
720 1 103 LEU HB2 1 103 LEU HG 2.100 . 2.600 2.618 2.426 3.024 0.424 19 0 "[ . 1 . ]" 1
721 1 103 LEU QD 1 103 LEU HG 2.100 . 2.700 1.884 1.868 1.889 . 0 0 "[ . 1 . ]" 1
722 1 103 LEU MD1 1 103 LEU MD2 2.000 . 2.500 2.056 1.999 2.072 . 0 0 "[ . 1 . ]" 1
723 1 104 GLU H 1 105 ASN H 4.200 . 6.000 4.323 4.079 4.388 . 0 0 "[ . 1 . ]" 1
724 1 104 GLU H 1 105 ASN HA 4.000 . 6.000 5.808 5.615 5.905 . 0 0 "[ . 1 . ]" 1
725 1 104 GLU H 1 108 PHE QD 4.600 . 6.000 5.738 5.024 6.082 0.082 14 0 "[ . 1 . ]" 1
726 1 104 GLU H 1 107 GLU H 2.700 . 3.600 3.158 2.892 3.450 . 0 0 "[ . 1 . ]" 1
727 1 104 GLU H 1 108 PHE HA 3.400 . 4.900 3.773 3.208 4.073 . 0 0 "[ . 1 . ]" 1
728 1 103 LEU HA 1 104 GLU H 2.200 . 2.800 2.104 2.079 2.138 . 0 0 "[ . 1 . ]" 1
729 1 104 GLU H 1 104 GLU HA 2.800 . 3.800 2.932 2.894 2.950 . 0 0 "[ . 1 . ]" 1
730 1 104 GLU HA 1 104 GLU HB2 2.900 . 4.000 2.840 2.478 3.033 . 0 0 "[ . 1 . ]" 1
731 1 103 LEU HG 1 105 ASN H 4.500 . 6.000 5.917 4.714 6.168 0.168 2 0 "[ . 1 . ]" 1
732 1 103 LEU QD 1 105 ASN H 4.400 . 6.000 3.728 3.247 4.825 . 0 0 "[ . 1 . ]" 1
733 1 105 ASN HB2 1 105 ASN HD21 2.700 . 3.600 2.437 2.160 3.548 . 0 0 "[ . 1 . ]" 1
734 1 105 ASN H 1 106 ASN HA 4.400 . 6.000 4.923 4.655 5.231 . 0 0 "[ . 1 . ]" 1
735 1 104 GLU HB2 1 105 ASN HB2 4.000 . 6.000 5.067 4.204 6.277 0.277 19 0 "[ . 1 . ]" 1
736 1 105 ASN H 1 106 ASN H 2.800 . 3.800 2.671 2.501 2.959 . 0 0 "[ . 1 . ]" 1
737 1 104 GLU HA 1 105 ASN H 2.200 . 2.800 2.190 2.125 2.248 . 0 0 "[ . 1 . ]" 1
738 1 105 ASN H 1 105 ASN HB2 3.400 . 4.900 3.698 3.502 4.023 . 0 0 "[ . 1 . ]" 1
739 1 105 ASN HB2 1 105 ASN HD22 3.600 . 5.200 3.574 3.444 4.075 . 0 0 "[ . 1 . ]" 1
740 1 105 ASN HB2 1 106 ASN H 3.300 . 4.700 4.230 4.074 4.585 . 0 0 "[ . 1 . ]" 1
741 1 105 ASN H 1 105 ASN HA 2.200 . 2.800 2.271 2.258 2.286 . 0 0 "[ . 1 . ]" 1
742 1 105 ASN HA 1 105 ASN HB2 2.400 . 3.100 2.874 2.295 3.036 . 0 0 "[ . 1 . ]" 1
743 1 104 GLU HA 1 106 ASN H 3.300 . 4.600 3.433 3.179 3.775 . 0 0 "[ . 1 . ]" 1
744 1 105 ASN HA 1 106 ASN H 2.500 . 3.300 2.804 2.636 2.895 . 0 0 "[ . 1 . ]" 1
745 1 106 ASN H 1 106 ASN HA 2.100 . 2.600 2.269 2.237 2.292 . 0 0 "[ . 1 . ]" 1
746 1 103 LEU HG 1 106 ASN H 4.000 . 6.000 4.087 2.633 4.751 . 0 0 "[ . 1 . ]" 1
747 1 106 ASN H 1 107 GLU HA 4.500 . 6.000 5.247 5.117 5.406 . 0 0 "[ . 1 . ]" 1
748 1 106 ASN H 1 106 ASN HD22 4.000 . 6.000 5.373 4.256 6.291 0.291 19 0 "[ . 1 . ]" 1
749 1 106 ASN HA 1 106 ASN HD22 4.200 . 6.000 4.424 3.503 5.115 . 0 0 "[ . 1 . ]" 1
750 1 103 LEU HG 1 106 ASN HA 3.700 . 5.400 3.300 2.530 3.646 . 0 0 "[ . 1 . ]" 1
751 1 106 ASN HB2 1 106 ASN HD22 3.700 . 5.400 3.746 3.471 4.069 . 0 0 "[ . 1 . ]" 1
752 1 106 ASN HB2 1 106 ASN HD21 2.800 . 3.800 2.814 2.199 3.503 . 0 0 "[ . 1 . ]" 1
753 1 106 ASN HB2 1 107 GLU H 3.100 . 4.300 4.073 3.651 4.515 0.215 18 0 "[ . 1 . ]" 1
754 1 106 ASN H 1 106 ASN HB2 3.100 . 4.300 3.473 3.045 3.984 . 0 0 "[ . 1 . ]" 1
755 1 106 ASN HA 1 106 ASN HB2 2.600 . 3.400 2.783 2.384 3.018 . 0 0 "[ . 1 . ]" 1
756 1 107 GLU H 1 109 ASN HD21 4.500 . 6.000 4.781 4.473 5.309 . 0 0 "[ . 1 . ]" 1
757 1 107 GLU HA 1 130 VAL QG 2.900 . 4.000 3.932 3.711 4.092 0.092 13 0 "[ . 1 . ]" 1
758 1 107 GLU HB2 1 109 ASN HD21 4.300 . 6.000 3.868 3.422 4.749 . 0 0 "[ . 1 . ]" 1
759 1 107 GLU HB2 1 131 LEU H 3.400 . 4.800 5.662 4.462 6.353 1.553 12 14 "[ *******1 + *-****]" 1
760 1 107 GLU HA 1 107 GLU HB2 2.800 . 3.800 2.868 2.408 3.027 . 0 0 "[ . 1 . ]" 1
761 1 106 ASN H 1 107 GLU H 2.500 . 3.300 2.678 2.544 2.871 . 0 0 "[ . 1 . ]" 1
762 1 105 ASN H 1 107 GLU H 3.700 . 5.500 4.159 4.018 4.398 . 0 0 "[ . 1 . ]" 1
763 1 107 GLU H 1 108 PHE H 4.100 . 6.000 4.451 4.363 4.509 . 0 0 "[ . 1 . ]" 1
764 1 107 GLU H 1 107 GLU HA 2.900 . 4.000 2.925 2.912 2.937 . 0 0 "[ . 1 . ]" 1
765 1 106 ASN HA 1 107 GLU H 2.700 . 3.600 3.155 2.920 3.276 . 0 0 "[ . 1 . ]" 1
766 1 107 GLU H 1 107 GLU HB2 2.700 . 3.600 2.876 2.242 3.795 0.195 11 0 "[ . 1 . ]" 1
767 1 103 LEU QD 1 108 PHE H 2.600 . 6.000 4.256 3.053 4.609 . 0 0 "[ . 1 . ]" 1
768 1 103 LEU HA 1 108 PHE H 3.900 . 5.800 4.525 4.102 4.843 . 0 0 "[ . 1 . ]" 1
769 1 101 PHE QD 1 108 PHE HB2 3.200 . 4.500 3.348 2.102 4.039 . 0 0 "[ . 1 . ]" 1
770 1 108 PHE HB2 1 108 PHE QD 2.500 . 3.300 2.394 2.307 2.558 . 0 0 "[ . 1 . ]" 1
771 1 72 LEU QD 1 108 PHE HB2 2.900 . 4.000 2.390 1.829 3.526 . 0 0 "[ . 1 . ]" 1
772 1 103 LEU HG 1 108 PHE HA 3.300 . 4.600 3.571 3.191 4.877 0.277 2 0 "[ . 1 . ]" 1
773 1 103 LEU HA 1 108 PHE HA 2.000 . 2.500 2.394 2.006 2.562 0.062 12 0 "[ . 1 . ]" 1
774 1 108 PHE HA 1 108 PHE QD 2.900 . 4.000 3.090 2.688 3.374 . 0 0 "[ . 1 . ]" 1
775 1 103 LEU HB2 1 108 PHE QD 3.400 . 4.800 3.163 2.245 4.027 . 0 0 "[ . 1 . ]" 1
776 1 103 LEU HG 1 108 PHE QD 3.100 . 4.300 3.562 3.344 4.586 0.286 19 0 "[ . 1 . ]" 1
777 1 108 PHE H 1 109 ASN H 3.800 . 5.600 4.498 4.420 4.636 . 0 0 "[ . 1 . ]" 1
778 1 108 PHE H 1 108 PHE QD 2.600 . 3.500 2.413 1.816 2.903 . 0 0 "[ . 1 . ]" 1
779 1 108 PHE H 1 108 PHE HA 2.900 . 4.000 2.910 2.895 2.932 . 0 0 "[ . 1 . ]" 1
780 1 108 PHE H 1 108 PHE HB2 2.800 . 3.800 2.920 2.790 3.076 . 0 0 "[ . 1 . ]" 1
781 1 108 PHE HB2 1 109 ASN HD22 4.200 . 6.000 6.042 5.912 6.144 0.144 19 0 "[ . 1 . ]" 1
782 1 58 LEU H 1 108 PHE HB2 3.700 . 6.000 6.267 6.166 6.338 0.338 2 0 "[ . 1 . ]" 1
783 1 108 PHE HB2 1 109 ASN H 3.600 . 5.200 3.841 3.614 4.012 . 0 0 "[ . 1 . ]" 1
784 1 58 LEU MD2 1 108 PHE HB2 3.900 . 5.800 5.750 5.509 5.979 0.179 12 0 "[ . 1 . ]" 1
785 1 107 GLU HB2 1 108 PHE H 3.300 . 4.600 3.665 2.602 4.143 . 0 0 "[ . 1 . ]" 1
786 1 108 PHE H 1 130 VAL QG 3.700 . 5.400 3.412 2.874 3.852 . 0 0 "[ . 1 . ]" 1
787 1 109 ASN H 1 130 VAL HA 4.200 . 6.000 4.717 4.219 5.103 . 0 0 "[ . 1 . ]" 1
788 1 108 PHE QD 1 109 ASN HD21 4.300 . 6.000 5.659 5.131 5.999 . 0 0 "[ . 1 . ]" 1
789 1 108 PHE HA 1 109 ASN HD21 3.300 . 4.600 3.321 3.043 3.500 . 0 0 "[ . 1 . ]" 1
790 1 103 LEU HA 1 109 ASN HD21 3.500 . 5.000 3.523 2.800 4.674 . 0 0 "[ . 1 . ]" 1
791 1 104 GLU H 1 109 ASN HD22 3.400 . 4.900 3.451 2.318 4.818 . 0 0 "[ . 1 . ]" 1
792 1 108 PHE HA 1 109 ASN HD22 4.600 . 6.000 4.383 4.070 4.955 . 0 0 "[ . 1 . ]" 1
793 1 103 LEU HA 1 109 ASN HD22 4.300 . 6.000 4.569 3.728 5.785 . 0 0 "[ . 1 . ]" 1
794 1 109 ASN HB2 1 110 VAL H 3.600 . 5.300 3.717 3.442 3.899 . 0 0 "[ . 1 . ]" 1
795 1 109 ASN H 1 109 ASN HB2 2.700 . 3.600 2.749 2.570 2.874 . 0 0 "[ . 1 . ]" 1
796 1 109 ASN HA 1 130 VAL HA 2.600 . 3.400 2.339 1.792 2.765 0.008 10 0 "[ . 1 . ]" 1
797 1 109 ASN HB2 1 129 ALA H 4.400 . 6.000 5.095 4.528 5.286 . 0 0 "[ . 1 . ]" 1
798 1 109 ASN HB2 1 131 LEU H 4.700 . 6.000 5.672 5.358 6.019 0.019 5 0 "[ . 1 . ]" 1
799 1 109 ASN HB2 1 109 ASN HD21 2.600 . 3.400 2.447 2.223 2.928 . 0 0 "[ . 1 . ]" 1
800 1 108 PHE HA 1 109 ASN HB2 4.000 . 6.000 4.510 4.198 4.675 . 0 0 "[ . 1 . ]" 1
801 1 109 ASN HB2 1 130 VAL HA 3.900 . 5.800 4.456 3.969 4.821 . 0 0 "[ . 1 . ]" 1
802 1 102 ARG H 1 109 ASN HB2 3.100 . 4.300 3.573 3.269 3.970 . 0 0 "[ . 1 . ]" 1
803 1 109 ASN HB2 1 129 ALA MB 4.200 . 6.000 6.000 5.812 6.106 0.106 2 0 "[ . 1 . ]" 1
804 1 104 GLU H 1 109 ASN H 4.100 . 6.000 4.310 4.005 4.935 . 0 0 "[ . 1 . ]" 1
805 1 108 PHE QD 1 109 ASN H 3.900 . 5.800 4.711 4.373 4.853 . 0 0 "[ . 1 . ]" 1
806 1 109 ASN H 1 109 ASN HD21 2.700 . 3.600 2.787 2.465 3.197 . 0 0 "[ . 1 . ]" 1
807 1 109 ASN H 1 109 ASN HA 3.000 . 4.100 2.951 2.934 2.968 . 0 0 "[ . 1 . ]" 1
808 1 108 PHE HA 1 109 ASN H 2.300 . 2.900 2.199 2.141 2.395 . 0 0 "[ . 1 . ]" 1
809 1 103 LEU HA 1 109 ASN H 3.200 . 4.500 3.416 3.132 3.755 . 0 0 "[ . 1 . ]" 1
810 1 72 LEU QD 1 109 ASN H 4.100 . 6.000 4.217 3.003 4.701 . 0 0 "[ . 1 . ]" 1
811 1 110 VAL QG 1 128 SER HA 3.400 . 4.900 3.391 2.952 3.995 . 0 0 "[ . 1 . ]" 1
812 1 109 ASN HA 1 110 VAL QG 3.200 . 4.500 3.354 3.257 3.608 . 0 0 "[ . 1 . ]" 1
813 1 98 HIS HD2 1 110 VAL QG 3.600 . 5.200 4.055 3.162 4.727 . 0 0 "[ . 1 . ]" 1
814 1 110 VAL QG 1 111 VAL H 3.500 . 3.900 3.225 2.713 3.564 . 0 0 "[ . 1 . ]" 1
815 1 110 VAL H 1 110 VAL QG 2.400 . 3.100 2.045 1.957 2.182 . 0 0 "[ . 1 . ]" 1
816 1 99 ALA MB 1 110 VAL QG 2.500 . 3.300 2.204 1.623 2.816 0.077 16 0 "[ . 1 . ]" 1
817 1 110 VAL H 1 131 LEU H 3.900 . 5.800 4.815 4.590 5.138 . 0 0 "[ . 1 . ]" 1
818 1 109 ASN HA 1 110 VAL H 2.500 . 3.300 2.392 2.325 2.455 . 0 0 "[ . 1 . ]" 1
819 1 98 HIS HD2 1 110 VAL HB 3.600 . 5.200 4.855 4.526 5.302 0.102 10 0 "[ . 1 . ]" 1
820 1 110 VAL H 1 130 VAL HA 3.700 . 5.400 4.059 3.564 4.396 . 0 0 "[ . 1 . ]" 1
821 1 110 VAL QG 1 126 VAL H 4.100 . 6.000 5.018 4.361 5.748 . 0 0 "[ . 1 . ]" 1
822 1 110 VAL HA 1 110 VAL QG 2.900 . 3.900 2.376 2.061 2.626 . 0 0 "[ . 1 . ]" 1
823 1 110 VAL MG1 1 110 VAL MG2 2.100 . 2.700 2.058 2.038 2.079 . 0 0 "[ . 1 . ]" 1
824 1 111 VAL H 1 111 VAL HB 2.400 . 3.100 2.548 2.301 3.743 0.643 19 1 "[ . 1 . +]" 1
825 1 100 GLU H 1 111 VAL H 2.600 . 3.400 2.625 2.116 3.244 . 0 0 "[ . 1 . ]" 1
826 1 110 VAL HA 1 111 VAL H 2.400 . 3.100 2.114 2.014 2.327 . 0 0 "[ . 1 . ]" 1
827 1 101 PHE HA 1 111 VAL H 2.600 . 6.000 3.842 3.318 4.166 . 0 0 "[ . 1 . ]" 1
828 1 110 VAL HB 1 111 VAL H 2.700 . 3.600 3.486 2.810 3.923 0.323 15 0 "[ . 1 . ]" 1
829 1 111 VAL HA 1 112 ASP H 2.300 . 2.900 2.146 2.107 2.185 . 0 0 "[ . 1 . ]" 1
830 1 109 ASN HB2 1 111 VAL QG 2.900 . 3.900 3.601 3.173 3.895 . 0 0 "[ . 1 . ]" 1
831 1 98 HIS HA 1 111 VAL QG 2.900 . 6.000 6.728 6.161 7.667 1.667 15 9 "[ ***. * * -**+ ]" 1
832 1 100 GLU H 1 111 VAL HB 3.000 . 4.100 2.930 2.296 4.243 0.143 19 0 "[ . 1 . ]" 1
833 1 110 VAL HA 1 111 VAL HB 4.100 . 6.000 4.561 4.193 5.739 . 0 0 "[ . 1 . ]" 1
834 1 111 VAL HB 1 128 SER HA 3.600 . 5.200 5.019 4.434 5.219 0.019 9 0 "[ . 1 . ]" 1
835 1 102 ARG HE 1 111 VAL HB 3.400 . 4.800 3.851 2.979 4.832 0.032 5 0 "[ . 1 . ]" 1
836 1 99 ALA MB 1 111 VAL HB 4.400 . 6.000 3.829 3.554 4.684 . 0 0 "[ . 1 . ]" 1
837 1 102 ARG H 1 111 VAL QG 3.600 . 5.200 3.417 2.875 3.779 . 0 0 "[ . 1 . ]" 1
838 1 111 VAL HA 1 111 VAL HB 3.000 . 4.100 2.952 2.430 3.029 . 0 0 "[ . 1 . ]" 1
839 1 112 ASP H 1 113 VAL H 4.400 . 6.000 4.526 4.394 4.645 . 0 0 "[ . 1 . ]" 1
840 1 98 HIS HE1 1 112 ASP H 4.300 . 6.000 5.668 5.435 5.905 . 0 0 "[ . 1 . ]" 1
841 1 112 ASP H 1 128 SER HA 3.400 . 4.900 3.697 3.438 3.900 . 0 0 "[ . 1 . ]" 1
842 1 112 ASP H 1 127 ASP HA 3.000 . 4.100 3.166 2.579 3.450 . 0 0 "[ . 1 . ]" 1
843 1 112 ASP H 1 112 ASP HB2 3.100 . 4.300 2.751 2.521 2.857 . 0 0 "[ . 1 . ]" 1
844 1 112 ASP HB2 1 119 THR HB 3.400 . 4.800 3.566 2.993 4.429 . 0 0 "[ . 1 . ]" 1
845 1 112 ASP HA 1 137 VAL QG 3.900 . 5.800 5.895 5.802 6.337 0.537 8 1 "[ . + 1 . ]" 1
846 1 112 ASP HA 1 113 VAL QG 3.400 . 4.600 3.301 3.175 4.094 . 0 0 "[ . 1 . ]" 1
847 1 99 ALA HA 1 112 ASP HA 3.200 . 4.500 3.079 2.702 3.373 . 0 0 "[ . 1 . ]" 1
848 1 112 ASP HA 1 113 VAL H 2.300 . 2.900 2.183 2.121 2.290 . 0 0 "[ . 1 . ]" 1
849 1 112 ASP H 1 112 ASP HA 2.900 . 3.900 2.864 2.812 2.892 . 0 0 "[ . 1 . ]" 1
850 1 98 HIS HE1 1 112 ASP HB2 4.000 . 6.000 4.160 3.717 4.372 . 0 0 "[ . 1 . ]" 1
851 1 112 ASP HA 1 112 ASP HB2 2.500 . 3.300 2.414 2.373 2.478 . 0 0 "[ . 1 . ]" 1
852 1 113 VAL H 1 114 GLY HA3 3.100 . 4.300 4.567 4.422 4.798 0.498 16 0 "[ . 1 . ]" 1
853 1 113 VAL H 1 113 VAL HB 3.100 . 4.300 3.737 2.701 3.848 . 0 0 "[ . 1 . ]" 1
854 1 113 VAL HB 1 114 GLY HA3 3.700 . 5.400 4.595 4.154 5.326 . 0 0 "[ . 1 . ]" 1
855 1 111 VAL QG 1 113 VAL HA 3.400 . 4.800 3.896 3.430 4.724 . 0 0 "[ . 1 . ]" 1
856 1 113 VAL H 1 113 VAL HA 2.900 . 3.900 2.939 2.905 2.951 . 0 0 "[ . 1 . ]" 1
857 1 111 VAL HB 1 113 VAL QG 3.400 . 4.800 3.386 2.952 4.064 . 0 0 "[ . 1 . ]" 1
858 1 99 ALA HA 1 113 VAL QG 3.100 . 3.100 2.388 1.841 2.826 0.059 13 0 "[ . 1 . ]" 1
859 1 113 VAL H 1 113 VAL QG 2.800 . 3.300 2.130 1.918 3.091 . 0 0 "[ . 1 . ]" 1
860 1 100 GLU H 1 113 VAL QG 3.200 . 4.500 3.313 2.965 3.738 . 0 0 "[ . 1 . ]" 1
861 1 98 HIS HA 1 113 VAL QG 2.800 . 3.700 3.374 2.941 3.691 . 0 0 "[ . 1 . ]" 1
862 1 98 HIS H 1 113 VAL QG 3.600 . 5.200 4.229 3.969 4.389 . 0 0 "[ . 1 . ]" 1
863 1 99 ALA H 1 113 VAL QG 3.100 . 4.300 3.616 3.384 3.867 . 0 0 "[ . 1 . ]" 1
864 1 100 GLU HG2 1 113 VAL QG 3.100 . 3.600 2.730 2.337 3.167 . 0 0 "[ . 1 . ]" 1
865 1 111 VAL QG 1 113 VAL QG 2.000 . 2.500 1.966 1.506 2.545 0.045 15 0 "[ . 1 . ]" 1
866 1 97 ARG HG2 1 113 VAL QG 3.800 . 5.600 2.583 1.736 3.264 0.264 18 0 "[ . 1 . ]" 1
867 1 113 VAL QG 1 114 GLY H . . 3.600 2.653 1.798 3.257 0.202 16 0 "[ . 1 . ]" 1
868 1 99 ALA HA 1 113 VAL H 3.000 . 4.100 3.218 2.835 3.700 . 0 0 "[ . 1 . ]" 1
869 1 113 VAL HA 1 113 VAL QG 2.400 . 3.100 2.251 2.085 2.306 . 0 0 "[ . 1 . ]" 1
870 1 113 VAL HA 1 113 VAL HB 2.400 . 3.100 2.519 2.456 2.870 . 0 0 "[ . 1 . ]" 1
871 1 113 VAL HB 1 113 VAL QG 2.200 . 2.800 1.896 1.885 1.899 . 0 0 "[ . 1 . ]" 1
872 1 112 ASP HA 1 114 GLY H 4.400 . 6.000 3.666 3.428 4.254 . 0 0 "[ . 1 . ]" 1
873 1 114 GLY H 1 114 GLY HA3 2.600 . 3.400 2.900 2.764 2.943 . 0 0 "[ . 1 . ]" 1
874 1 114 GLY H 1 115 SER HB2 4.400 . 6.000 4.653 4.111 6.411 0.411 1 0 "[ . 1 . ]" 1
875 1 113 VAL HB 1 114 GLY H 3.900 . 5.800 4.015 3.248 4.394 . 0 0 "[ . 1 . ]" 1
876 1 114 GLY H 1 114 GLY HA2 2.700 . 3.600 2.562 2.313 2.835 . 0 0 "[ . 1 . ]" 1
877 1 114 GLY HA2 1 115 SER H 4.000 . 6.000 2.267 2.146 2.458 . 0 0 "[ . 1 . ]" 1
878 1 114 GLY HA3 1 115 SER H 2.900 . 3.900 3.460 3.352 3.541 . 0 0 "[ . 1 . ]" 1
879 1 114 GLY H 1 115 SER H 2.600 . 3.400 3.077 2.556 3.466 0.066 10 0 "[ . 1 . ]" 1
880 1 113 VAL H 1 115 SER H 3.800 . 5.600 4.526 3.855 5.067 . 0 0 "[ . 1 . ]" 1
881 1 115 SER H 1 115 SER HB2 3.500 . 5.100 2.953 2.609 3.707 . 0 0 "[ . 1 . ]" 1
882 1 115 SER HA 1 116 LEU H 2.900 . 3.900 2.303 2.146 2.549 . 0 0 "[ . 1 . ]" 1
883 1 115 SER HA 1 115 SER HB2 2.700 . 3.600 2.505 2.389 3.018 . 0 0 "[ . 1 . ]" 1
884 1 116 LEU MD1 1 116 LEU MD2 2.000 . 2.500 2.085 2.073 2.100 . 0 0 "[ . 1 . ]" 1
885 1 21 THR MG 1 116 LEU QD 2.000 . 2.500 1.878 1.597 2.173 . 0 0 "[ . 1 . ]" 1
886 1 116 LEU H 1 117 ASN H 3.500 . 5.000 2.986 2.762 3.151 . 0 0 "[ . 1 . ]" 1
887 1 116 LEU H 1 140 GLY H 3.800 . 5.600 4.838 4.134 5.608 0.008 10 0 "[ . 1 . ]" 1
888 1 116 LEU QD 1 117 ASN H 3.200 . 4.500 3.317 2.894 3.695 . 0 0 "[ . 1 . ]" 1
889 1 93 THR HB 1 116 LEU QD 3.200 . 4.500 4.533 4.059 4.669 0.169 10 0 "[ . 1 . ]" 1
890 1 24 VAL HB 1 116 LEU QD 2.700 . 3.600 2.288 1.628 3.795 0.195 1 0 "[ . 1 . ]" 1
891 1 116 LEU QD 1 117 ASN HA 3.300 . 4.700 3.642 2.717 4.376 . 0 0 "[ . 1 . ]" 1
892 1 21 THR H 1 116 LEU QD 2.200 . 6.000 5.272 4.763 5.759 . 0 0 "[ . 1 . ]" 1
893 1 116 LEU H 1 116 LEU QD 3.500 . 5.000 3.664 3.578 3.735 . 0 0 "[ . 1 . ]" 1
894 1 116 LEU H 1 116 LEU HA 2.700 . 3.600 2.788 2.762 2.827 . 0 0 "[ . 1 . ]" 1
895 1 116 LEU HA 1 116 LEU QD 3.600 . 5.300 2.071 1.746 2.926 0.154 8 0 "[ . 1 . ]" 1
896 1 21 THR MG 1 116 LEU HA 4.000 . 6.000 5.296 4.613 5.710 . 0 0 "[ . 1 . ]" 1
897 1 116 LEU HB2 1 116 LEU QD 2.600 . 3.400 2.239 2.083 2.495 . 0 0 "[ . 1 . ]" 1
898 1 117 ASN HA 1 117 ASN HB2 2.600 . 3.400 2.541 2.226 3.029 . 0 0 "[ . 1 . ]" 1
899 1 117 ASN H 1 118 GLY H 2.800 . 3.700 2.522 2.369 2.718 . 0 0 "[ . 1 . ]" 1
900 1 117 ASN H 1 141 LYS HB2 3.700 . 5.400 7.125 6.812 7.294 1.894 9 19 [********+*-********] 1
901 1 25 PHE HA 1 117 ASN HA 3.500 . 6.000 6.350 6.100 7.385 1.385 3 1 "[ + . 1 . ]" 1
902 1 117 ASN HA 1 141 LYS HB2 4.200 . 6.000 7.225 6.521 7.713 1.713 3 19 [*-+****************] 1
903 1 117 ASN HB2 1 118 GLY H 4.000 . 6.000 3.606 2.628 4.209 . 0 0 "[ . 1 . ]" 1
904 1 25 PHE H 1 117 ASN HB2 3.300 . 4.700 4.196 2.644 5.027 0.327 18 0 "[ . 1 . ]" 1
905 1 117 ASN H 1 117 ASN HB2 3.900 . 5.800 3.106 2.476 3.613 . 0 0 "[ . 1 . ]" 1
906 1 118 GLY H 1 119 THR H 3.800 . 5.600 4.262 4.163 4.368 . 0 0 "[ . 1 . ]" 1
907 1 117 ASN HA 1 118 GLY H 3.300 . 4.700 3.513 3.480 3.562 . 0 0 "[ . 1 . ]" 1
908 1 118 GLY H 1 118 GLY HA3 2.600 . 3.500 2.934 2.916 2.945 . 0 0 "[ . 1 . ]" 1
909 1 118 GLY H 1 118 GLY HA2 3.000 . 4.100 2.563 2.511 2.639 . 0 0 "[ . 1 . ]" 1
910 1 119 THR HA 1 119 THR MG 2.900 . 4.000 2.524 2.485 2.584 . 0 0 "[ . 1 . ]" 1
911 1 119 THR HB 1 119 THR MG 2.200 . 2.800 2.133 2.126 2.136 . 0 0 "[ . 1 . ]" 1
912 1 118 GLY HA3 1 119 THR H 2.700 . 3.600 2.749 2.573 2.942 . 0 0 "[ . 1 . ]" 1
913 1 118 GLY HA2 1 119 THR H 2.700 . 3.600 2.338 2.251 2.489 . 0 0 "[ . 1 . ]" 1
914 1 119 THR HB 1 126 VAL MG2 3.900 . 5.800 5.129 3.912 5.862 0.062 5 0 "[ . 1 . ]" 1
915 1 98 HIS HE1 1 119 THR HA 3.100 . 4.300 4.084 3.642 4.347 0.047 3 0 "[ . 1 . ]" 1
916 1 98 HIS HE1 1 119 THR MG 2.100 . 2.700 1.838 1.576 1.999 . 0 0 "[ . 1 . ]" 1
917 1 99 ALA MB 1 119 THR HB 4.300 . 6.000 5.710 5.149 6.157 0.157 1 0 "[ . 1 . ]" 1
918 1 98 HIS HE1 1 119 THR HB 3.800 . 5.700 4.611 4.370 4.798 . 0 0 "[ . 1 . ]" 1
919 1 119 THR H 1 119 THR HB 3.200 . 4.400 2.463 2.402 2.513 . 0 0 "[ . 1 . ]" 1
920 1 119 THR H 1 119 THR MG 3.800 . 5.600 3.747 3.702 3.775 . 0 0 "[ . 1 . ]" 1
921 1 98 HIS HD1 1 119 THR MG 3.100 . 4.300 2.255 2.036 2.550 . 0 0 "[ . 1 . ]" 1
922 1 119 THR MG 1 120 TYR HA 3.000 . 4.200 3.134 2.979 3.346 . 0 0 "[ . 1 . ]" 1
923 1 98 HIS HD1 1 120 TYR H 4.700 . 6.000 4.367 3.992 4.754 . 0 0 "[ . 1 . ]" 1
924 1 119 THR HB 1 120 TYR H 4.400 . 6.000 4.302 4.196 4.428 . 0 0 "[ . 1 . ]" 1
925 1 120 TYR H 1 126 VAL MG2 4.000 . 6.000 5.651 4.974 6.024 0.024 6 0 "[ . 1 . ]" 1
926 1 120 TYR H 1 139 ILE H 4.100 . 6.000 5.091 4.922 5.353 . 0 0 "[ . 1 . ]" 1
927 1 120 TYR HA 1 125 PRO HA 2.800 . 3.800 2.819 2.348 3.154 . 0 0 "[ . 1 . ]" 1
928 1 120 TYR HA 1 121 VAL H 2.500 . 3.300 2.192 2.142 2.308 . 0 0 "[ . 1 . ]" 1
929 1 120 TYR H 1 138 GLN H 3.300 . 4.700 3.029 2.687 3.434 . 0 0 "[ . 1 . ]" 1
930 1 119 THR HA 1 120 TYR H 2.500 . 3.300 2.177 2.101 2.209 . 0 0 "[ . 1 . ]" 1
931 1 119 THR MG 1 120 TYR H 2.700 . 3.600 2.738 2.542 3.002 . 0 0 "[ . 1 . ]" 1
932 1 120 TYR HB2 1 120 TYR QD 2.800 . 3.800 2.446 2.272 2.747 . 0 0 "[ . 1 . ]" 1
933 1 120 TYR QE 1 124 GLU HA 3.400 . 4.900 3.530 3.008 4.293 . 0 0 "[ . 1 . ]" 1
934 1 119 THR HA 1 120 TYR QD 3.500 . 5.100 4.369 3.838 5.185 0.085 2 0 "[ . 1 . ]" 1
935 1 120 TYR QE 1 125 PRO HB2 4.800 . 6.000 5.615 5.018 6.011 0.011 2 0 "[ . 1 . ]" 1
936 1 120 TYR QD 1 125 PRO HA 3.600 . 5.200 4.186 3.648 4.779 . 0 0 "[ . 1 . ]" 1
937 1 120 TYR QD 1 124 GLU HA 3.300 . 4.700 3.077 2.192 4.161 . 0 0 "[ . 1 . ]" 1
938 1 120 TYR HA 1 120 TYR QD 3.200 . 4.500 2.723 2.014 3.055 . 0 0 "[ . 1 . ]" 1
939 1 29 PHE HZ 1 120 TYR QD 3.600 . 5.300 3.657 2.475 4.858 . 0 0 "[ . 1 . ]" 1
940 1 120 TYR HA 1 126 VAL MG2 4.100 . 6.000 4.885 4.193 5.316 . 0 0 "[ . 1 . ]" 1
941 1 121 VAL HA 1 121 VAL HB 2.800 . 3.800 2.924 2.286 3.039 . 0 0 "[ . 1 . ]" 1
942 1 121 VAL HA 1 121 VAL QG 2.800 . 2.800 2.183 2.123 2.483 . 0 0 "[ . 1 . ]" 1
943 1 121 VAL H 1 125 PRO HA 3.100 . 4.300 3.228 2.778 3.674 . 0 0 "[ . 1 . ]" 1
944 1 121 VAL H 1 121 VAL HB 2.600 . 3.400 2.755 2.487 3.693 0.293 11 0 "[ . 1 . ]" 1
945 1 121 VAL HA 1 138 GLN H 3.100 . 4.300 3.053 2.493 3.349 . 0 0 "[ . 1 . ]" 1
946 1 121 VAL H 1 121 VAL HA 3.000 . 4.100 2.938 2.899 2.957 . 0 0 "[ . 1 . ]" 1
947 1 121 VAL H 1 121 VAL QG 3.500 . 4.000 2.509 1.842 2.972 0.058 17 0 "[ . 1 . ]" 1
948 1 121 VAL HA 1 137 VAL HA 2.700 . 3.600 2.042 1.784 2.202 0.016 11 0 "[ . 1 . ]" 1
949 1 121 VAL HB 1 122 ASN HD22 3.800 . 5.600 4.975 3.443 5.640 0.040 17 0 "[ . 1 . ]" 1
950 1 110 VAL H 1 121 VAL QG 3.500 . 5.100 4.528 4.314 4.826 . 0 0 "[ . 1 . ]" 1
951 1 121 VAL QG 1 122 ASN H 3.700 . 4.900 2.902 2.619 3.383 . 0 0 "[ . 1 . ]" 1
952 1 121 VAL QG 1 123 ARG H 3.700 . 5.400 4.447 4.221 4.645 . 0 0 "[ . 1 . ]" 1
953 1 121 VAL QG 1 122 ASN HD22 3.300 . 4.500 2.479 2.097 3.044 . 0 0 "[ . 1 . ]" 1
954 1 98 HIS HE1 1 121 VAL QG 3.100 . 4.300 3.014 2.631 4.213 . 0 0 "[ . 1 . ]" 1
955 1 121 VAL QG 1 137 VAL HA 3.500 . 5.100 2.738 2.346 3.030 . 0 0 "[ . 1 . ]" 1
956 1 112 ASP HB2 1 121 VAL QG 3.100 . 6.000 4.476 3.819 4.997 . 0 0 "[ . 1 . ]" 1
957 1 110 VAL QG 1 121 VAL QG 2.900 . 4.000 2.217 1.856 2.650 . 0 0 "[ . 1 . ]" 1
958 1 122 ASN HA 1 122 ASN HB2 3.000 . 4.100 3.019 3.004 3.034 . 0 0 "[ . 1 . ]" 1
959 1 121 VAL H 1 122 ASN H 4.300 . 6.000 4.256 3.970 4.464 . 0 0 "[ . 1 . ]" 1
960 1 122 ASN H 1 122 ASN HD21 3.500 . 5.000 2.594 1.970 3.661 0.030 11 0 "[ . 1 . ]" 1
961 1 122 ASN HB2 1 122 ASN HD21 3.200 . 4.500 3.068 2.151 3.539 . 0 0 "[ . 1 . ]" 1
962 1 122 ASN HD22 1 135 ASP HA 4.000 . 6.000 4.317 2.816 5.673 . 0 0 "[ . 1 . ]" 1
963 1 122 ASN H 1 137 VAL HA 3.300 . 4.700 3.035 2.632 3.472 . 0 0 "[ . 1 . ]" 1
964 1 121 VAL HA 1 122 ASN H 2.400 . 3.100 2.153 2.120 2.205 . 0 0 "[ . 1 . ]" 1
965 1 122 ASN H 1 122 ASN HA 2.600 . 3.400 2.277 2.257 2.296 . 0 0 "[ . 1 . ]" 1
966 1 121 VAL HB 1 122 ASN H 3.900 . 5.800 4.234 3.292 4.422 . 0 0 "[ . 1 . ]" 1
967 1 122 ASN HB2 1 124 GLU H 2.700 . 3.600 3.580 3.134 3.729 0.129 17 0 "[ . 1 . ]" 1
968 1 122 ASN HB2 1 122 ASN HD22 3.600 . 5.200 3.857 3.449 4.069 . 0 0 "[ . 1 . ]" 1
969 1 122 ASN H 1 122 ASN HB2 4.000 . 6.000 3.703 3.424 3.835 . 0 0 "[ . 1 . ]" 1
970 1 122 ASN HA 1 122 ASN HD21 2.900 . 3.900 2.729 2.083 4.029 0.129 1 0 "[ . 1 . ]" 1
971 1 122 ASN H 1 123 ARG H 3.100 . 4.300 2.617 2.521 2.744 . 0 0 "[ . 1 . ]" 1
972 1 123 ARG H 1 124 GLU H 3.100 . 4.300 2.783 2.688 2.901 . 0 0 "[ . 1 . ]" 1
973 1 121 VAL HA 1 123 ARG H 4.100 . 6.000 3.699 3.387 3.907 . 0 0 "[ . 1 . ]" 1
974 1 123 ARG H 1 123 ARG HG2 3.200 . 4.500 3.663 2.732 5.256 0.756 10 3 "[ . - + * ]" 1
975 1 120 TYR QE 1 123 ARG HE 2.400 . 6.000 5.475 3.634 6.096 0.096 8 0 "[ . 1 . ]" 1
976 1 123 ARG HE 1 123 ARG HG2 3.000 . 4.100 2.868 2.333 3.721 . 0 0 "[ . 1 . ]" 1
977 1 123 ARG H 1 123 ARG HE 2.800 . 6.000 5.020 3.131 5.958 . 0 0 "[ . 1 . ]" 1
978 1 120 TYR QE 1 123 ARG HA 3.600 . 5.200 4.368 2.439 5.249 0.049 3 0 "[ . 1 . ]" 1
979 1 123 ARG HA 1 124 GLU H 3.200 . 4.500 3.102 2.872 3.365 . 0 0 "[ . 1 . ]" 1
980 1 124 GLU HA 1 124 GLU HG2 3.200 . 4.500 3.783 3.703 3.869 . 0 0 "[ . 1 . ]" 1
981 1 124 GLU HA 1 124 GLU HB2 2.900 . 3.900 2.427 2.367 2.477 . 0 0 "[ . 1 . ]" 1
982 1 124 GLU HB2 1 124 GLU HG2 2.600 . 3.400 3.003 2.991 3.008 . 0 0 "[ . 1 . ]" 1
983 1 122 ASN H 1 124 GLU H 4.000 . 6.000 4.052 3.936 4.174 . 0 0 "[ . 1 . ]" 1
984 1 120 TYR QD 1 124 GLU H 3.400 . 4.800 3.534 3.014 4.392 . 0 0 "[ . 1 . ]" 1
985 1 121 VAL H 1 124 GLU H 2.800 . 3.800 2.990 2.611 3.467 . 0 0 "[ . 1 . ]" 1
986 1 124 GLU H 1 124 GLU HG2 2.600 . 3.400 2.487 2.253 2.669 . 0 0 "[ . 1 . ]" 1
987 1 124 GLU HG2 1 126 VAL MG1 4.000 . 6.000 3.499 3.239 3.949 . 0 0 "[ . 1 . ]" 1
988 1 124 GLU HA 1 125 PRO HD2 2.500 . 3.300 2.604 2.113 2.851 . 0 0 "[ . 1 . ]" 1
989 1 124 GLU HG2 1 126 VAL H 4.200 . 6.000 6.141 5.983 6.713 0.713 1 2 "[+ -. 1 . ]" 1
990 1 122 ASN HB2 1 124 GLU HG2 3.000 . 4.200 2.584 2.144 3.122 . 0 0 "[ . 1 . ]" 1
991 1 124 GLU H 1 124 GLU HB2 3.800 . 5.600 3.890 3.794 3.952 . 0 0 "[ . 1 . ]" 1
992 1 124 GLU H 1 124 GLU HA 2.900 . 4.000 2.930 2.911 2.963 . 0 0 "[ . 1 . ]" 1
993 1 125 PRO HD2 1 125 PRO HG2 2.600 . 3.400 2.313 2.287 2.327 . 0 0 "[ . 1 . ]" 1
994 1 125 PRO HB2 1 126 VAL H 3.400 . 4.800 3.862 3.494 3.993 . 0 0 "[ . 1 . ]" 1
995 1 124 GLU HA 1 125 PRO HG2 4.500 . 6.000 4.428 4.286 4.624 . 0 0 "[ . 1 . ]" 1
996 1 120 TYR QE 1 125 PRO HD2 4.100 . 6.000 4.233 3.833 4.892 . 0 0 "[ . 1 . ]" 1
997 1 126 VAL HA 1 126 VAL HB 2.500 . 3.300 2.425 2.378 2.467 . 0 0 "[ . 1 . ]" 1
998 1 126 VAL HB 1 126 VAL MG1 2.300 . 3.000 2.125 2.122 2.129 . 0 0 "[ . 1 . ]" 1
999 1 126 VAL HA 1 126 VAL MG1 2.300 . 3.000 2.396 2.325 2.477 . 0 0 "[ . 1 . ]" 1
1000 1 126 VAL MG1 1 126 VAL MG2 2.100 . 2.600 2.096 2.084 2.108 . 0 0 "[ . 1 . ]" 1
1001 1 126 VAL HA 1 126 VAL MG2 3.000 . 4.100 3.211 3.198 3.218 . 0 0 "[ . 1 . ]" 1
1002 1 126 VAL HB 1 126 VAL MG2 2.200 . 2.800 2.130 2.123 2.136 . 0 0 "[ . 1 . ]" 1
1003 1 121 VAL H 1 126 VAL H 3.200 . 4.500 3.728 3.286 4.525 0.025 1 0 "[ . 1 . ]" 1
1004 1 98 HIS HE1 1 126 VAL H 4.000 . 6.000 5.545 4.813 6.013 0.013 11 0 "[ . 1 . ]" 1
1005 1 126 VAL H 1 126 VAL HA 2.900 . 4.000 2.947 2.939 2.952 . 0 0 "[ . 1 . ]" 1
1006 1 125 PRO HA 1 126 VAL H 2.200 . 2.800 2.184 2.157 2.228 . 0 0 "[ . 1 . ]" 1
1007 1 126 VAL H 1 129 ALA MB 5.000 . 6.000 5.065 4.752 5.399 . 0 0 "[ . 1 . ]" 1
1008 1 126 VAL H 1 126 VAL MG2 2.300 . 2.900 2.160 2.031 2.372 . 0 0 "[ . 1 . ]" 1
1009 1 126 VAL H 1 126 VAL HB 3.600 . 5.300 3.799 3.734 3.910 . 0 0 "[ . 1 . ]" 1
1010 1 121 VAL H 1 126 VAL MG1 2.800 . 3.700 3.279 2.455 3.760 0.060 1 0 "[ . 1 . ]" 1
1011 1 110 VAL QG 1 126 VAL MG2 3.100 . 4.300 2.622 2.287 3.023 . 0 0 "[ . 1 . ]" 1
1012 1 121 VAL HB 1 126 VAL MG2 2.500 . 3.300 2.617 2.145 3.590 0.290 11 0 "[ . 1 . ]" 1
1013 1 125 PRO HA 1 126 VAL MG2 3.700 . 5.400 3.864 3.681 4.101 . 0 0 "[ . 1 . ]" 1
1014 1 126 VAL HA 1 129 ALA MB 4.300 . 6.000 4.793 4.559 5.189 . 0 0 "[ . 1 . ]" 1
1015 1 126 VAL MG1 1 128 SER H 3.400 . 4.900 4.602 4.403 4.935 0.035 6 0 "[ . 1 . ]" 1
1016 1 120 TYR HA 1 126 VAL MG1 2.100 . 6.000 4.776 3.974 5.142 . 0 0 "[ . 1 . ]" 1
1017 1 126 VAL MG2 1 129 ALA H 3.000 . 4.100 2.712 2.220 3.013 . 0 0 "[ . 1 . ]" 1
1018 1 127 ASP HA 1 127 ASP HB2 2.600 . 3.500 2.694 2.408 3.028 . 0 0 "[ . 1 . ]" 1
1019 1 126 VAL HA 1 127 ASP H 2.500 . 3.300 2.482 2.288 2.559 . 0 0 "[ . 1 . ]" 1
1020 1 126 VAL HB 1 127 ASP H 2.400 . 3.100 2.212 2.003 2.649 . 0 0 "[ . 1 . ]" 1
1021 1 126 VAL MG2 1 127 ASP H 3.400 . 4.900 3.108 2.930 3.490 . 0 0 "[ . 1 . ]" 1
1022 1 127 ASP H 1 128 SER HA 4.300 . 6.000 4.679 4.477 4.979 . 0 0 "[ . 1 . ]" 1
1023 1 112 ASP HB2 1 127 ASP HA 3.800 . 5.600 3.990 2.753 4.614 . 0 0 "[ . 1 . ]" 1
1024 1 127 ASP HB2 1 128 SER H 2.600 . 3.400 3.199 2.219 3.880 0.480 13 0 "[ . 1 . ]" 1
1025 1 127 ASP H 1 128 SER H 2.300 . 2.900 2.252 1.880 2.676 . 0 0 "[ . 1 . ]" 1
1026 1 128 SER H 1 129 ALA H 3.700 . 5.400 3.556 3.402 3.849 . 0 0 "[ . 1 . ]" 1
1027 1 128 SER H 1 128 SER HA 2.800 . 3.800 2.887 2.865 2.934 . 0 0 "[ . 1 . ]" 1
1028 1 126 VAL HA 1 128 SER H 3.700 . 5.400 4.547 4.168 5.007 . 0 0 "[ . 1 . ]" 1
1029 1 126 VAL HB 1 128 SER H 2.900 . 3.900 3.077 2.838 3.513 . 0 0 "[ . 1 . ]" 1
1030 1 128 SER H 1 129 ALA MB 3.600 . 5.200 4.076 3.805 4.270 . 0 0 "[ . 1 . ]" 1
1031 1 126 VAL MG2 1 128 SER H 3.200 . 4.500 3.340 3.061 4.034 . 0 0 "[ . 1 . ]" 1
1032 1 111 VAL HA 1 128 SER HA 2.600 . 3.400 2.481 2.151 2.641 . 0 0 "[ . 1 . ]" 1
1033 1 126 VAL MG2 1 128 SER HA 3.400 . 4.800 3.482 3.125 3.911 . 0 0 "[ . 1 . ]" 1
1034 1 102 ARG H 1 128 SER HA 1.900 . 6.000 6.166 6.033 6.352 0.352 15 0 "[ . 1 . ]" 1
1035 1 110 VAL HA 1 128 SER HA 3.400 . 4.800 4.594 4.333 4.859 0.059 19 0 "[ . 1 . ]" 1
1036 1 129 ALA HA 1 129 ALA MB 2.300 . 2.900 2.127 2.124 2.129 . 0 0 "[ . 1 . ]" 1
1037 1 110 VAL H 1 129 ALA MB 3.300 . 4.600 3.464 3.228 3.656 . 0 0 "[ . 1 . ]" 1
1038 1 126 VAL HB 1 129 ALA MB 2.500 . 3.300 2.757 2.433 3.194 . 0 0 "[ . 1 . ]" 1
1039 1 126 VAL MG2 1 129 ALA MB 2.300 . 3.000 1.958 1.589 2.461 0.011 14 0 "[ . 1 . ]" 1
1040 1 110 VAL H 1 129 ALA H 2.600 . 3.400 2.642 2.415 2.997 . 0 0 "[ . 1 . ]" 1
1041 1 129 ALA H 1 130 VAL H 3.700 . 5.400 4.498 4.385 4.584 . 0 0 "[ . 1 . ]" 1
1042 1 128 SER HA 1 129 ALA H 2.300 . 3.000 2.189 2.139 2.223 . 0 0 "[ . 1 . ]" 1
1043 1 126 VAL MG2 1 129 ALA HA 4.000 . 6.000 3.968 3.562 4.571 . 0 0 "[ . 1 . ]" 1
1044 1 129 ALA HA 1 130 VAL H 2.100 . 2.700 2.180 2.064 2.289 . 0 0 "[ . 1 . ]" 1
1045 1 130 VAL HB 1 130 VAL QG 2.100 . 2.600 1.894 1.889 1.897 . 0 0 "[ . 1 . ]" 1
1046 1 130 VAL H 1 130 VAL HB 2.300 . 2.900 2.627 2.544 2.731 . 0 0 "[ . 1 . ]" 1
1047 1 129 ALA MB 1 130 VAL H 3.000 . 4.100 2.839 2.601 3.134 . 0 0 "[ . 1 . ]" 1
1048 1 130 VAL HA 1 130 VAL QG 2.200 . 2.800 2.194 2.130 2.337 . 0 0 "[ . 1 . ]" 1
1049 1 109 ASN HA 1 130 VAL QG 3.200 . 4.400 3.651 3.355 3.917 . 0 0 "[ . 1 . ]" 1
1050 1 131 LEU HB2 1 131 LEU HG 2.800 . 3.800 2.655 2.387 3.032 . 0 0 "[ . 1 . ]" 1
1051 1 131 LEU HA 1 131 LEU HG 2.700 . 3.600 2.956 2.382 3.562 . 0 0 "[ . 1 . ]" 1
1052 1 108 PHE HB2 1 131 LEU H 3.700 . 5.400 3.734 3.416 4.088 . 0 0 "[ . 1 . ]" 1
1053 1 129 ALA HA 1 131 LEU H 2.900 . 6.000 6.045 5.862 6.209 0.209 3 0 "[ . 1 . ]" 1
1054 1 108 PHE H 1 131 LEU H 3.600 . 5.300 4.240 4.045 4.568 . 0 0 "[ . 1 . ]" 1
1055 1 131 LEU H 1 132 ALA H 3.500 . 5.000 4.586 4.420 4.665 . 0 0 "[ . 1 . ]" 1
1056 1 109 ASN HA 1 131 LEU H 3.000 . 4.100 2.946 2.598 3.279 . 0 0 "[ . 1 . ]" 1
1057 1 131 LEU H 1 131 LEU HA 3.000 . 4.100 2.781 2.718 2.818 . 0 0 "[ . 1 . ]" 1
1058 1 130 VAL HA 1 131 LEU H 2.300 . 3.000 2.163 2.112 2.273 . 0 0 "[ . 1 . ]" 1
1059 1 130 VAL HB 1 131 LEU H 3.600 . 5.200 4.006 3.823 4.188 . 0 0 "[ . 1 . ]" 1
1060 1 58 LEU HG 1 131 LEU H 3.200 . 6.000 6.054 5.802 6.249 0.249 15 0 "[ . 1 . ]" 1
1061 1 130 VAL QG 1 131 LEU H 2.800 . 3.800 2.464 2.057 2.791 . 0 0 "[ . 1 . ]" 1
1062 1 131 LEU H 1 131 LEU HB2 2.900 . 3.900 2.184 1.966 2.387 . 0 0 "[ . 1 . ]" 1
1063 1 58 LEU HG 1 131 LEU HG 2.200 . 2.800 2.587 2.355 2.855 0.055 10 0 "[ . 1 . ]" 1
1064 1 58 LEU HB2 1 131 LEU HG 3.500 . 5.000 5.118 5.001 5.238 0.238 10 0 "[ . 1 . ]" 1
1065 1 108 PHE HB2 1 131 LEU HG 3.000 . 4.100 3.872 3.456 4.231 0.131 5 0 "[ . 1 . ]" 1
1066 1 131 LEU HG 1 148 THR HB 3.300 . 6.000 5.378 4.411 6.107 0.107 6 0 "[ . 1 . ]" 1
1067 1 109 ASN HA 1 131 LEU HG 3.700 . 5.400 5.521 5.373 5.637 0.237 1 0 "[ . 1 . ]" 1
1068 1 131 LEU HG 1 146 PHE QD 2.400 . 3.100 2.727 2.209 3.147 0.047 10 0 "[ . 1 . ]" 1
1069 1 131 LEU H 1 131 LEU HG 3.200 . 4.400 4.040 3.769 4.289 . 0 0 "[ . 1 . ]" 1
1070 1 131 LEU HG 1 132 ALA H 3.000 . 4.100 3.982 3.633 4.198 0.098 6 0 "[ . 1 . ]" 1
1071 1 131 LEU HG 1 148 THR MG 3.400 . 6.000 5.636 4.421 6.228 0.228 15 0 "[ . 1 . ]" 1
1072 1 58 LEU HG 1 131 LEU HA 3.700 . 5.400 4.409 3.933 4.927 . 0 0 "[ . 1 . ]" 1
1073 1 131 LEU HB2 1 132 ALA H 4.100 . 6.000 4.126 3.686 4.614 . 0 0 "[ . 1 . ]" 1
1074 1 108 PHE QD 1 131 LEU HG 3.600 . 5.200 4.773 4.524 5.144 . 0 0 "[ . 1 . ]" 1
1075 1 131 LEU HG 1 132 ALA HA 4.000 . 6.000 6.069 5.843 6.188 0.188 17 0 "[ . 1 . ]" 1
1076 1 57 LEU HA 1 131 LEU HG 3.400 . 4.800 5.031 4.952 5.129 0.329 3 0 "[ . 1 . ]" 1
1077 1 132 ALA HA 1 132 ALA MB 2.000 . 2.500 2.134 2.125 2.143 . 0 0 "[ . 1 . ]" 1
1078 1 132 ALA H 1 146 PHE QD 3.600 . 5.200 2.436 2.116 2.961 . 0 0 "[ . 1 . ]" 1
1079 1 132 ALA H 1 147 LEU QD 3.700 . 5.400 5.194 4.829 5.369 . 0 0 "[ . 1 . ]" 1
1080 1 132 ALA H 1 132 ALA HA 3.000 . 4.100 2.896 2.834 2.946 . 0 0 "[ . 1 . ]" 1
1081 1 131 LEU HA 1 132 ALA H 2.400 . 3.100 2.277 2.132 2.408 . 0 0 "[ . 1 . ]" 1
1082 1 132 ALA H 1 135 ASP HB2 3.400 . 4.800 3.851 2.364 5.482 0.682 8 1 "[ . + 1 . ]" 1
1083 1 132 ALA H 1 132 ALA MB 2.100 . 2.700 2.650 2.455 2.817 0.117 6 0 "[ . 1 . ]" 1
1084 1 132 ALA MB 1 133 ASN HB2 4.000 . 6.000 4.787 4.152 5.794 . 0 0 "[ . 1 . ]" 1
1085 1 132 ALA MB 1 146 PHE QD 3.800 . 5.600 3.591 3.039 4.079 . 0 0 "[ . 1 . ]" 1
1086 1 132 ALA MB 1 133 ASN H 2.400 . 3.100 2.376 1.971 3.093 . 0 0 "[ . 1 . ]" 1
1087 1 132 ALA MB 1 135 ASP H 3.300 . 4.700 3.479 2.980 4.124 . 0 0 "[ . 1 . ]" 1
1088 1 132 ALA H 1 133 ASN H 3.900 . 5.800 4.313 4.156 4.366 . 0 0 "[ . 1 . ]" 1
1089 1 133 ASN H 1 134 GLY H 4.300 . 6.000 4.232 3.854 4.499 . 0 0 "[ . 1 . ]" 1
1090 1 133 ASN H 1 133 ASN HD21 3.600 . 5.200 4.438 2.273 4.922 . 0 0 "[ . 1 . ]" 1
1091 1 133 ASN H 1 146 PHE QD 3.500 . 5.100 4.418 3.743 5.096 . 0 0 "[ . 1 . ]" 1
1092 1 132 ALA HA 1 133 ASN H 2.300 . 3.000 2.470 2.137 2.723 . 0 0 "[ . 1 . ]" 1
1093 1 133 ASN H 1 133 ASN HB2 2.800 . 3.800 2.894 2.407 3.699 . 0 0 "[ . 1 . ]" 1
1094 1 133 ASN H 1 148 THR MG 3.200 . 4.500 3.844 3.021 4.616 0.116 1 0 "[ . 1 . ]" 1
1095 1 133 ASN HA 1 133 ASN HB2 2.500 . 3.300 2.578 2.350 3.021 . 0 0 "[ . 1 . ]" 1
1096 1 133 ASN HD21 1 147 LEU QD 3.800 . 5.600 3.904 2.455 5.313 . 0 0 "[ . 1 . ]" 1
1097 1 133 ASN HA 1 146 PHE QD 3.100 . 4.300 3.728 3.058 4.383 0.083 11 0 "[ . 1 . ]" 1
1098 1 133 ASN HA 1 134 GLY H 2.500 . 3.300 2.199 2.091 2.345 . 0 0 "[ . 1 . ]" 1
1099 1 133 ASN HA 1 147 LEU HA 2.900 . 4.000 2.541 2.048 3.023 . 0 0 "[ . 1 . ]" 1
1100 1 133 ASN HB2 1 148 THR MG 3.500 . 5.000 3.852 2.564 5.214 0.214 1 0 "[ . 1 . ]" 1
1101 1 134 GLY H 1 146 PHE QD 3.300 . 4.700 3.520 2.868 4.299 . 0 0 "[ . 1 . ]" 1
1102 1 134 GLY H 1 147 LEU HA 3.700 . 5.400 3.360 2.826 3.993 . 0 0 "[ . 1 . ]" 1
1103 1 133 ASN HB2 1 134 GLY H 4.400 . 6.000 4.279 3.480 4.642 . 0 0 "[ . 1 . ]" 1
1104 1 133 ASN HD21 1 134 GLY H 4.400 . 6.000 5.225 4.380 6.123 0.123 13 0 "[ . 1 . ]" 1
1105 1 134 GLY HA2 1 147 LEU QD 3.400 . 4.800 2.791 2.126 3.524 . 0 0 "[ . 1 . ]" 1
1106 1 134 GLY HA2 1 135 ASP H 3.700 . 5.400 3.302 3.202 3.450 . 0 0 "[ . 1 . ]" 1
1107 1 134 GLY H 1 134 GLY HA2 3.000 . 4.100 2.404 2.338 2.436 . 0 0 "[ . 1 . ]" 1
1108 1 122 ASN HD22 1 135 ASP H 4.400 . 6.000 5.764 5.224 6.063 0.063 19 0 "[ . 1 . ]" 1
1109 1 132 ALA H 1 135 ASP H 3.500 . 5.000 4.248 3.409 4.879 . 0 0 "[ . 1 . ]" 1
1110 1 135 ASP H 1 135 ASP HA 2.500 . 3.300 2.893 2.824 2.945 . 0 0 "[ . 1 . ]" 1
1111 1 134 GLY H 1 135 ASP H 2.500 . 3.300 2.344 2.093 2.620 . 0 0 "[ . 1 . ]" 1
1112 1 135 ASP H 1 146 PHE QD 3.000 . 4.100 3.218 2.585 3.762 . 0 0 "[ . 1 . ]" 1
1113 1 134 GLY HA3 1 135 ASP H 3.000 . 4.100 3.260 3.030 3.366 . 0 0 "[ . 1 . ]" 1
1114 1 135 ASP H 1 135 ASP HB2 2.300 . 3.000 2.492 2.213 2.768 . 0 0 "[ . 1 . ]" 1
1115 1 135 ASP H 1 147 LEU QD 3.500 . 5.100 3.870 3.588 4.147 . 0 0 "[ . 1 . ]" 1
1116 1 135 ASP HB2 1 136 GLU H 3.800 . 5.600 4.036 3.703 4.531 . 0 0 "[ . 1 . ]" 1
1117 1 136 GLU HB2 1 136 GLU HG2 2.500 . 3.300 2.751 2.283 3.005 . 0 0 "[ . 1 . ]" 1
1118 1 136 GLU HA 1 136 GLU HG2 3.300 . 4.700 3.657 3.245 4.244 . 0 0 "[ . 1 . ]" 1
1119 1 136 GLU HG2 1 137 VAL H 3.800 . 5.600 4.059 3.098 4.893 . 0 0 "[ . 1 . ]" 1
1120 1 136 GLU HA 1 137 VAL H 2.200 . 2.800 2.205 2.098 2.307 . 0 0 "[ . 1 . ]" 1
1121 1 136 GLU HG2 1 145 VAL HA 4.200 . 6.000 5.231 4.404 5.806 . 0 0 "[ . 1 . ]" 1
1122 1 136 GLU HG2 1 143 ARG HG2 3.100 . 4.300 4.240 3.027 5.466 1.166 19 4 "[ - . * 1 * . +]" 1
1123 1 136 GLU H 1 136 GLU HG2 3.400 . 4.800 3.337 2.219 4.169 . 0 0 "[ . 1 . ]" 1
1124 1 136 GLU HA 1 136 GLU HB2 3.000 . 4.100 2.451 2.266 3.022 . 0 0 "[ . 1 . ]" 1
1125 1 136 GLU HB2 1 137 VAL H 2.800 . 3.800 3.100 2.389 4.014 0.214 17 0 "[ . 1 . ]" 1
1126 1 136 GLU HA 1 145 VAL HA 2.400 . 3.100 1.808 1.662 1.937 0.038 12 0 "[ . 1 . ]" 1
1127 1 135 ASP H 1 136 GLU H 4.300 . 6.000 4.553 4.333 4.659 . 0 0 "[ . 1 . ]" 1
1128 1 136 GLU H 1 137 VAL H 4.600 . 6.000 4.455 4.245 4.583 . 0 0 "[ . 1 . ]" 1
1129 1 122 ASN H 1 136 GLU H 3.600 . 5.200 3.963 3.355 4.543 . 0 0 "[ . 1 . ]" 1
1130 1 122 ASN HD21 1 136 GLU H 3.300 . 4.600 3.343 2.443 4.662 0.062 17 0 "[ . 1 . ]" 1
1131 1 122 ASN HD22 1 136 GLU H 4.000 . 6.000 3.564 2.506 4.883 . 0 0 "[ . 1 . ]" 1
1132 1 136 GLU H 1 136 GLU HA 3.000 . 4.100 2.928 2.909 2.943 . 0 0 "[ . 1 . ]" 1
1133 1 135 ASP HA 1 136 GLU H 2.400 . 3.100 2.350 2.114 2.634 . 0 0 "[ . 1 . ]" 1
1134 1 136 GLU H 1 145 VAL QG 3.600 . 5.200 4.806 4.525 4.947 . 0 0 "[ . 1 . ]" 1
1135 1 137 VAL H 1 146 PHE H 4.800 . 6.000 4.701 4.257 5.226 . 0 0 "[ . 1 . ]" 1
1136 1 137 VAL H 1 144 LEU HB2 3.200 . 4.400 2.734 2.401 3.088 . 0 0 "[ . 1 . ]" 1
1137 1 137 VAL HB 1 144 LEU HB2 2.300 . 2.900 2.479 1.882 3.102 0.202 14 0 "[ . 1 . ]" 1
1138 1 137 VAL H 1 137 VAL HB 2.700 . 3.600 2.781 2.615 3.006 . 0 0 "[ . 1 . ]" 1
1139 1 98 HIS HD2 1 137 VAL HB 4.000 . 6.000 6.065 5.774 6.242 0.242 14 0 "[ . 1 . ]" 1
1140 1 123 ARG H 1 137 VAL HA 4.000 . 6.000 4.698 4.101 5.351 . 0 0 "[ . 1 . ]" 1
1141 1 138 GLN HA 1 138 GLN HG2 3.300 . 4.600 3.084 2.337 3.841 . 0 0 "[ . 1 . ]" 1
1142 1 122 ASN H 1 138 GLN H 4.400 . 6.000 4.325 3.687 4.890 . 0 0 "[ . 1 . ]" 1
1143 1 138 GLN HE22 1 142 PHE QD 4.000 . 6.000 5.004 3.849 6.113 0.113 5 0 "[ . 1 . ]" 1
1144 1 138 GLN HE22 1 138 GLN HG2 3.600 . 5.200 3.631 3.399 4.037 . 0 0 "[ . 1 . ]" 1
1145 1 27 ALA MB 1 138 GLN HE22 4.200 . 6.000 3.340 2.394 4.505 . 0 0 "[ . 1 . ]" 1
1146 1 137 VAL HA 1 138 GLN H 2.400 . 3.100 2.214 2.164 2.282 . 0 0 "[ . 1 . ]" 1
1147 1 138 GLN HE21 1 142 PHE QD 4.200 . 6.000 5.099 3.924 6.283 0.283 2 0 "[ . 1 . ]" 1
1148 1 120 TYR HB2 1 138 GLN H 4.200 . 6.000 3.620 3.066 4.562 . 0 0 "[ . 1 . ]" 1
1149 1 121 VAL QG 1 138 GLN H 3.400 . 4.800 3.563 3.043 4.104 . 0 0 "[ . 1 . ]" 1
1150 1 138 GLN HG2 1 139 ILE H 3.300 . 4.600 3.846 2.560 4.815 0.215 7 0 "[ . 1 . ]" 1
1151 1 138 GLN HA 1 139 ILE H 2.400 . 3.100 2.126 2.062 2.156 . 0 0 "[ . 1 . ]" 1
1152 1 121 VAL HA 1 138 GLN HA 4.200 . 6.000 5.854 5.282 6.106 0.106 3 0 "[ . 1 . ]" 1
1153 1 138 GLN HE21 1 138 GLN HG2 2.300 . 6.000 2.607 2.138 3.456 . 0 0 "[ . 1 . ]" 1
1154 1 138 GLN HG2 1 142 PHE QD 3.600 . 5.200 5.637 4.658 6.714 1.514 18 9 "[- * . ** 1* .**+*]" 1
1155 1 138 GLN H 1 138 GLN HG2 4.300 . 6.000 4.609 4.444 4.770 . 0 0 "[ . 1 . ]" 1
1156 1 29 PHE HZ 1 138 GLN HG2 2.600 . 6.000 5.839 4.744 6.258 0.258 14 0 "[ . 1 . ]" 1
1157 1 139 ILE HA 1 139 ILE MD 3.400 . 4.900 3.883 3.624 4.136 . 0 0 "[ . 1 . ]" 1
1158 1 139 ILE HA 1 139 ILE HB 2.600 . 3.500 2.217 2.185 2.266 . 0 0 "[ . 1 . ]" 1
1159 1 139 ILE HA 1 139 ILE HG12 3.100 . 4.300 3.471 3.105 3.915 . 0 0 "[ . 1 . ]" 1
1160 1 139 ILE HB 1 139 ILE MD 2.400 . 3.100 2.863 2.282 3.193 0.093 15 0 "[ . 1 . ]" 1
1161 1 139 ILE HB 1 139 ILE HG12 2.700 . 3.600 2.749 2.495 3.015 . 0 0 "[ . 1 . ]" 1
1162 1 139 ILE HG12 1 139 ILE MG 2.700 . 3.600 2.846 2.221 3.184 . 0 0 "[ . 1 . ]" 1
1163 1 139 ILE HA 1 139 ILE MG 2.900 . 4.000 2.852 2.675 3.070 . 0 0 "[ . 1 . ]" 1
1164 1 139 ILE HB 1 139 ILE MG 1.900 . 2.400 2.095 2.079 2.109 . 0 0 "[ . 1 . ]" 1
1165 1 139 ILE MD 1 139 ILE MG 1.800 . 2.200 1.893 1.649 2.029 . 0 0 "[ . 1 . ]" 1
1166 1 138 GLN H 1 139 ILE H 4.300 . 6.000 4.335 4.216 4.449 . 0 0 "[ . 1 . ]" 1
1167 1 139 ILE H 1 144 LEU H 4.000 . 6.000 4.118 3.650 4.439 . 0 0 "[ . 1 . ]" 1
1168 1 138 GLN HE22 1 139 ILE H 4.300 . 6.000 4.543 3.827 5.363 . 0 0 "[ . 1 . ]" 1
1169 1 138 GLN HE21 1 139 ILE H 3.800 . 5.600 4.168 3.005 5.160 . 0 0 "[ . 1 . ]" 1
1170 1 139 ILE H 1 139 ILE HB 3.200 . 4.500 3.827 3.694 3.926 . 0 0 "[ . 1 . ]" 1
1171 1 139 ILE MD 1 139 ILE HG12 2.900 . 3.900 2.107 2.095 2.119 . 0 0 "[ . 1 . ]" 1
1172 1 139 ILE HA 1 140 GLY H 2.400 . 3.100 2.176 2.119 2.213 . 0 0 "[ . 1 . ]" 1
1173 1 89 LEU HG 1 139 ILE MD 2.100 . 2.700 1.797 1.364 2.762 0.136 12 0 "[ . 1 . ]" 1
1174 1 98 HIS HB2 1 139 ILE MD 2.500 . 6.000 4.449 3.236 5.229 . 0 0 "[ . 1 . ]" 1
1175 1 98 HIS HD2 1 139 ILE MD 3.000 . 4.100 3.458 1.889 4.301 0.201 15 0 "[ . 1 . ]" 1
1176 1 117 ASN QD 1 139 ILE MD 3.800 . 5.600 5.489 4.978 8.317 2.717 13 1 "[ . 1 + . ]" 1
1177 1 139 ILE H 1 139 ILE MD 3.800 . 5.600 3.402 2.420 4.403 . 0 0 "[ . 1 . ]" 1
1178 1 110 VAL QG 1 139 ILE MG 2.200 . 6.000 3.983 3.499 4.375 . 0 0 "[ . 1 . ]" 1
1179 1 137 VAL HB 1 139 ILE MG 3.300 . 4.600 3.462 3.134 4.019 . 0 0 "[ . 1 . ]" 1
1180 1 98 HIS HD2 1 139 ILE MG 2.200 . 2.800 2.308 2.077 2.429 . 0 0 "[ . 1 . ]" 1
1181 1 139 ILE H 1 139 ILE MG 2.800 . 3.700 2.353 2.188 2.511 . 0 0 "[ . 1 . ]" 1
1182 1 137 VAL QG 1 139 ILE MG 1.900 . 2.400 2.176 1.622 2.476 0.076 1 0 "[ . 1 . ]" 1
1183 1 139 ILE H 1 139 ILE HA 2.900 . 3.900 2.935 2.922 2.950 . 0 0 "[ . 1 . ]" 1
1184 1 139 ILE HB 1 142 PHE HB2 4.600 . 6.000 6.256 6.126 6.893 0.893 2 1 "[ + . 1 . ]" 1
1185 1 98 HIS HD1 1 139 ILE HA 3.500 . 5.100 3.654 3.221 4.087 . 0 0 "[ . 1 . ]" 1
1186 1 68 SER HB2 1 139 ILE MD 4.700 . 6.000 5.116 4.297 6.707 0.707 10 1 "[ . + . ]" 1
1187 1 69 ARG H 1 139 ILE MD 4.300 . 6.000 6.099 5.921 6.231 0.231 17 0 "[ . 1 . ]" 1
1188 1 139 ILE MD 1 140 GLY H 3.800 . 5.600 4.356 3.985 4.808 . 0 0 "[ . 1 . ]" 1
1189 1 139 ILE MG 1 140 GLY H 4.400 . 6.000 4.382 4.309 4.453 . 0 0 "[ . 1 . ]" 1
1190 1 98 HIS HD1 1 139 ILE MG 2.600 . 6.000 3.921 3.289 4.458 . 0 0 "[ . 1 . ]" 1
1191 1 80 GLY HA2 1 139 ILE MD 2.800 . 3.800 2.668 1.700 3.891 0.100 9 0 "[ . 1 . ]" 1
1192 1 139 ILE MD 1 140 GLY HA3 3.700 . 5.400 3.854 3.205 4.586 . 0 0 "[ . 1 . ]" 1
1193 1 139 ILE H 1 140 GLY H 3.900 . 5.800 4.293 4.194 4.402 . 0 0 "[ . 1 . ]" 1
1194 1 140 GLY H 1 141 LYS H 3.300 . 4.700 4.025 3.650 4.394 . 0 0 "[ . 1 . ]" 1
1195 1 140 GLY H 1 140 GLY HA2 2.600 . 3.400 2.324 2.283 2.369 . 0 0 "[ . 1 . ]" 1
1196 1 140 GLY H 1 141 LYS HB2 4.400 . 6.000 7.025 6.457 7.283 1.283 6 18 "[*****+** -*********]" 1
1197 1 138 GLN HG2 1 140 GLY H 5.400 . 6.000 5.380 4.499 6.158 0.158 14 0 "[ . 1 . ]" 1
1198 1 140 GLY H 1 140 GLY HA3 2.800 . 3.800 2.866 2.796 2.935 . 0 0 "[ . 1 . ]" 1
1199 1 93 THR HB 1 140 GLY HA3 3.600 . 5.200 4.221 3.124 4.823 . 0 0 "[ . 1 . ]" 1
1200 1 140 GLY HA3 1 142 PHE QD 3.700 . 5.400 3.001 2.754 3.300 . 0 0 "[ . 1 . ]" 1
1201 1 140 GLY HA2 1 141 LYS H 3.000 . 4.100 3.504 3.376 3.590 . 0 0 "[ . 1 . ]" 1
1202 1 140 GLY HA2 1 142 PHE QD 4.800 . 6.000 4.490 4.321 4.853 . 0 0 "[ . 1 . ]" 1
1203 1 141 LYS HA 1 141 LYS HB2 2.600 . 3.400 2.506 2.412 2.571 . 0 0 "[ . 1 . ]" 1
1204 1 141 LYS HB2 1 141 LYS HE2 3.000 . 4.100 3.703 2.801 4.622 0.522 1 1 "[+ . 1 . ]" 1
1205 1 141 LYS HA 1 142 PHE QD 3.500 . 5.000 3.993 3.614 4.609 . 0 0 "[ . 1 . ]" 1
1206 1 93 THR HB 1 141 LYS H 3.700 . 5.400 4.603 3.803 5.483 0.083 3 0 "[ . 1 . ]" 1
1207 1 140 GLY HA3 1 141 LYS H 2.400 . 3.100 2.346 2.165 2.569 . 0 0 "[ . 1 . ]" 1
1208 1 138 GLN HG2 1 141 LYS HA 3.900 . 5.800 4.214 3.219 4.874 . 0 0 "[ . 1 . ]" 1
1209 1 141 LYS H 1 141 LYS HB2 3.200 . 4.500 3.947 3.760 4.119 . 0 0 "[ . 1 . ]" 1
1210 1 138 GLN HE21 1 141 LYS HA 2.700 . 3.600 3.274 2.213 4.499 0.899 19 1 "[ . 1 . +]" 1
1211 1 138 GLN HE22 1 141 LYS HA 3.100 . 4.300 3.093 1.864 4.291 0.036 12 0 "[ . 1 . ]" 1
1212 1 142 PHE HA 1 142 PHE QE 4.300 . 6.000 4.974 4.873 5.063 . 0 0 "[ . 1 . ]" 1
1213 1 142 PHE HB2 1 142 PHE QE 3.400 . 4.800 4.450 4.423 4.477 . 0 0 "[ . 1 . ]" 1
1214 1 27 ALA MB 1 142 PHE QE 2.500 . 6.000 6.055 5.513 6.312 0.312 12 0 "[ . 1 . ]" 1
1215 1 89 LEU MD2 1 142 PHE QE 2.600 . 6.000 4.222 2.917 4.785 . 0 0 "[ . 1 . ]" 1
1216 1 66 ALA H 1 142 PHE QD 2.700 . 3.600 1.977 1.785 2.371 0.015 12 0 "[ . 1 . ]" 1
1217 1 64 PRO HD2 1 143 ARG H 4.100 . 6.000 4.568 4.083 5.082 . 0 0 "[ . 1 . ]" 1
1218 1 60 VAL HA 1 143 ARG H 3.600 . 5.200 4.994 4.299 5.245 0.045 2 0 "[ . 1 . ]" 1
1219 1 63 GLY H 1 143 ARG H 3.500 . 5.100 4.469 4.159 4.751 . 0 0 "[ . 1 . ]" 1
1220 1 143 ARG HA 1 143 ARG HG2 2.700 . 3.600 2.717 2.131 3.547 . 0 0 "[ . 1 . ]" 1
1221 1 143 ARG HA 1 143 ARG HB2 3.000 . 4.200 2.575 2.464 2.708 . 0 0 "[ . 1 . ]" 1
1222 1 137 VAL H 1 143 ARG HA 3.500 . 5.100 4.847 4.104 5.187 0.087 15 0 "[ . 1 . ]" 1
1223 1 142 PHE HA 1 143 ARG H 2.400 . 3.100 2.312 2.255 2.429 . 0 0 "[ . 1 . ]" 1
1224 1 63 GLY HA2 1 143 ARG H 3.300 . 4.700 3.501 2.928 4.414 . 0 0 "[ . 1 . ]" 1
1225 1 26 ARG HE 1 143 ARG HB2 3.300 . 4.700 4.017 3.292 4.531 . 0 0 "[ . 1 . ]" 1
1226 1 62 ARG H 1 143 ARG HB2 3.800 . 5.600 4.531 3.957 4.992 . 0 0 "[ . 1 . ]" 1
1227 1 144 LEU HA 1 144 LEU HG 2.500 . 3.300 2.554 2.453 2.668 . 0 0 "[ . 1 . ]" 1
1228 1 144 LEU HB2 1 144 LEU HG 2.500 . 3.300 3.002 2.993 3.012 . 0 0 "[ . 1 . ]" 1
1229 1 143 ARG H 1 144 LEU H 3.800 . 5.600 4.238 3.978 4.502 . 0 0 "[ . 1 . ]" 1
1230 1 144 LEU H 1 144 LEU HG 2.800 . 3.800 3.636 3.452 3.857 0.057 18 0 "[ . 1 . ]" 1
1231 1 60 VAL HA 1 144 LEU HG 2.700 . 3.600 2.079 1.801 2.483 . 0 0 "[ . 1 . ]" 1
1232 1 144 LEU H 1 144 LEU MD1 2.600 . 3.400 2.076 1.886 2.364 . 0 0 "[ . 1 . ]" 1
1233 1 142 PHE HB2 1 144 LEU MD1 2.700 . 3.600 2.156 1.917 2.557 . 0 0 "[ . 1 . ]" 1
1234 1 139 ILE H 1 144 LEU MD1 3.000 . 4.100 2.151 1.870 2.836 0.030 5 0 "[ . 1 . ]" 1
1235 1 137 VAL HB 1 144 LEU MD1 2.600 . 3.400 3.444 3.101 3.807 0.407 14 0 "[ . 1 . ]" 1
1236 1 139 ILE MG 1 144 LEU MD1 2.100 . 2.600 1.757 1.594 1.997 0.006 1 0 "[ . 1 . ]" 1
1237 1 144 LEU H 1 144 LEU HA 2.800 . 3.800 2.933 2.895 2.959 . 0 0 "[ . 1 . ]" 1
1238 1 60 VAL H 1 144 LEU MD2 2.600 . 3.400 3.402 3.031 3.475 0.075 1 0 "[ . 1 . ]" 1
1239 1 137 VAL H 1 144 LEU MD1 3.400 . 4.900 4.050 3.628 4.176 . 0 0 "[ . 1 . ]" 1
1240 1 144 LEU HG 1 145 VAL H 3.900 . 5.800 4.209 3.925 4.733 . 0 0 "[ . 1 . ]" 1
1241 1 144 LEU H 1 144 LEU HB2 3.100 . 4.300 2.530 2.414 2.707 . 0 0 "[ . 1 . ]" 1
1242 1 61 LYS H 1 144 LEU HG 4.300 . 6.000 3.986 3.721 4.231 . 0 0 "[ . 1 . ]" 1
1243 1 145 VAL HA 1 145 VAL HB 2.400 . 3.100 2.240 2.223 2.265 . 0 0 "[ . 1 . ]" 1
1244 1 145 VAL HB 1 145 VAL QG 2.000 . 2.500 1.887 1.882 1.893 . 0 0 "[ . 1 . ]" 1
1245 1 145 VAL HA 1 145 VAL QG 2.500 . 3.300 2.607 2.574 2.625 . 0 0 "[ . 1 . ]" 1
1246 1 145 VAL MG1 1 145 VAL MG2 1.800 . 2.200 2.060 2.045 2.084 . 0 0 "[ . 1 . ]" 1
1247 1 145 VAL H 1 145 VAL HB 2.900 . 4.000 3.768 3.404 3.896 . 0 0 "[ . 1 . ]" 1
1248 1 137 VAL H 1 145 VAL HA 3.800 . 5.600 3.044 2.745 3.567 . 0 0 "[ . 1 . ]" 1
1249 1 137 VAL H 1 145 VAL QG 2.300 . 6.000 4.308 4.081 4.459 . 0 0 "[ . 1 . ]" 1
1250 1 145 VAL QG 1 146 PHE H 2.500 . 3.300 2.517 2.410 2.643 . 0 0 "[ . 1 . ]" 1
1251 1 59 VAL H 1 145 VAL QG 2.700 . 3.600 3.410 3.277 3.503 . 0 0 "[ . 1 . ]" 1
1252 1 58 LEU HA 1 145 VAL QG 3.100 . 4.300 4.273 4.175 4.395 0.095 10 0 "[ . 1 . ]" 1
1253 1 134 GLY HA3 1 145 VAL QG 3.600 . 5.200 4.135 3.765 4.482 . 0 0 "[ . 1 . ]" 1
1254 1 134 GLY HA2 1 145 VAL QG 2.400 . 3.100 2.794 2.405 3.144 0.044 19 0 "[ . 1 . ]" 1
1255 1 136 GLU HB2 1 145 VAL QG 2.600 . 3.400 3.725 3.291 4.703 1.303 11 7 "[ * **1+ - .** ]" 1
1256 1 136 GLU HG2 1 145 VAL QG 2.400 . 6.000 5.079 2.902 5.653 . 0 0 "[ . 1 . ]" 1
1257 1 145 VAL H 1 145 VAL QG 2.300 . 2.900 2.198 1.843 2.303 . 0 0 "[ . 1 . ]" 1
1258 1 144 LEU HA 1 145 VAL H 2.100 . 2.700 2.289 2.159 2.380 . 0 0 "[ . 1 . ]" 1
1259 1 134 GLY H 1 145 VAL QG 3.900 . 4.100 3.034 2.220 3.311 . 0 0 "[ . 1 . ]" 1
1260 1 144 LEU HA 1 145 VAL QG 3.300 . 4.700 3.210 3.115 3.268 . 0 0 "[ . 1 . ]" 1
1261 1 145 VAL H 1 145 VAL HA 2.700 . 3.600 2.919 2.911 2.942 . 0 0 "[ . 1 . ]" 1
1262 1 61 LYS H 1 145 VAL QG 2.600 . 3.500 3.006 2.742 3.210 . 0 0 "[ . 1 . ]" 1
1263 1 136 GLU HA 1 145 VAL QG 2.900 . 4.000 3.444 3.225 3.591 . 0 0 "[ . 1 . ]" 1
1264 1 146 PHE HA 1 146 PHE HB2 2.700 . 3.600 2.519 2.362 2.945 . 0 0 "[ . 1 . ]" 1
1265 1 58 LEU HG 1 146 PHE H 4.800 . 6.000 4.411 4.022 4.692 . 0 0 "[ . 1 . ]" 1
1266 1 145 VAL H 1 146 PHE H 4.000 . 6.000 4.320 4.261 4.507 . 0 0 "[ . 1 . ]" 1
1267 1 146 PHE H 1 146 PHE QD 3.100 . 4.300 3.033 1.860 4.199 0.040 16 0 "[ . 1 . ]" 1
1268 1 145 VAL HA 1 146 PHE H 2.200 . 2.800 2.231 2.189 2.268 . 0 0 "[ . 1 . ]" 1
1269 1 146 PHE H 1 146 PHE HB2 3.100 . 4.300 3.359 2.962 3.710 . 0 0 "[ . 1 . ]" 1
1270 1 58 LEU HA 1 146 PHE HA 2.600 . 3.400 1.744 1.645 1.870 0.155 16 0 "[ . 1 . ]" 1
1271 1 145 VAL QG 1 146 PHE HA 2.600 . 3.500 3.340 3.209 3.501 0.001 11 0 "[ . 1 . ]" 1
1272 1 58 LEU HG 1 146 PHE HA 3.500 . 5.000 3.294 2.607 3.732 . 0 0 "[ . 1 . ]" 1
1273 1 146 PHE HA 1 146 PHE QD 3.200 . 4.500 3.300 2.736 3.677 . 0 0 "[ . 1 . ]" 1
1274 1 134 GLY H 1 147 LEU H 5.900 . 6.000 5.174 4.800 5.655 . 0 0 "[ . 1 . ]" 1
1275 1 146 PHE HB2 1 147 LEU H 4.000 . 6.000 3.395 2.630 4.149 . 0 0 "[ . 1 . ]" 1
1276 1 59 VAL H 1 147 LEU H 4.600 . 6.000 4.022 3.498 4.396 . 0 0 "[ . 1 . ]" 1
1277 1 147 LEU HA 1 147 LEU HG 3.200 . 4.500 3.646 3.521 3.742 . 0 0 "[ . 1 . ]" 1
1278 1 147 LEU HA 1 147 LEU QD 2.300 . 3.000 1.840 1.655 2.006 . 0 0 "[ . 1 . ]" 1
1279 1 147 LEU MD1 1 147 LEU MD2 1.900 . 2.300 2.089 2.062 2.100 . 0 0 "[ . 1 . ]" 1
1280 1 147 LEU HB2 1 147 LEU QD 3.800 . 4.800 2.226 2.150 2.383 . 0 0 "[ . 1 . ]" 1
1281 1 147 LEU H 1 148 THR H 3.900 . 5.800 4.342 4.059 4.416 . 0 0 "[ . 1 . ]" 1
1282 1 146 PHE QD 1 147 LEU H 3.700 . 5.400 3.928 3.279 4.792 . 0 0 "[ . 1 . ]" 1
1283 1 58 LEU HA 1 147 LEU H 4.300 . 6.000 3.205 2.689 3.687 . 0 0 "[ . 1 . ]" 1
1284 1 146 PHE HA 1 147 LEU H 2.300 . 3.000 2.161 2.085 2.222 . 0 0 "[ . 1 . ]" 1
1285 1 147 LEU H 1 147 LEU HA 2.700 . 3.600 2.936 2.921 2.947 . 0 0 "[ . 1 . ]" 1
1286 1 134 GLY H 1 147 LEU QD 2.700 . 3.600 2.070 1.790 2.427 0.010 13 0 "[ . 1 . ]" 1
1287 1 147 LEU H 1 147 LEU QD 2.900 . 3.900 2.850 2.455 3.411 . 0 0 "[ . 1 . ]" 1
1288 1 147 LEU QD 1 148 THR H 2.900 . 3.900 2.922 1.909 3.600 . 0 0 "[ . 1 . ]" 1
1289 1 147 LEU HA 1 148 THR H 2.300 . 3.000 2.275 2.098 2.480 . 0 0 "[ . 1 . ]" 1
1290 1 134 GLY H 1 148 THR H 2.600 . 6.000 5.150 4.096 5.758 . 0 0 "[ . 1 . ]" 1
1291 1 133 ASN HB2 1 148 THR H 3.300 . 4.600 4.233 2.896 5.752 1.152 1 2 "[+ - . 1 . ]" 1
1292 1 148 THR H 1 148 THR MG 2.700 . 3.600 2.446 1.988 2.779 . 0 0 "[ . 1 . ]" 1
1293 1 148 THR HA 1 148 THR MG 2.900 . 3.900 3.217 3.182 3.244 . 0 0 "[ . 1 . ]" 1
1294 1 148 THR HB 1 148 THR MG 3.600 . 5.200 2.130 2.116 2.139 . 0 0 "[ . 1 . ]" 1
1295 1 148 THR HB 1 148 THR HG1 3.300 . 4.600 2.309 2.089 2.855 . 0 0 "[ . 1 . ]" 1
1296 1 148 THR H 1 148 THR HA 2.400 . 3.100 2.886 2.801 2.949 . 0 0 "[ . 1 . ]" 1
1297 1 56 ALA MB 1 148 THR HA 2.500 . 3.300 2.954 1.936 3.387 0.087 7 0 "[ . 1 . ]" 1
1298 1 56 ALA HA 1 148 THR HA 2.700 . 3.600 3.493 2.035 3.886 0.286 5 0 "[ . 1 . ]" 1
1299 1 51 LEU H 1 148 THR MG 3.300 . 4.700 4.817 4.594 5.016 0.316 19 0 "[ . 1 . ]" 1
1300 1 108 PHE QD 1 148 THR MG 2.100 . 6.000 4.672 3.342 6.046 0.046 13 0 "[ . 1 . ]" 1
1301 1 148 THR MG 1 149 GLY H 3.300 . 4.600 3.105 1.930 3.802 0.070 17 0 "[ . 1 . ]" 1
1302 1 51 LEU QD 1 149 GLY H 3.200 . 4.500 3.505 1.859 4.407 0.041 14 0 "[ . 1 . ]" 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 76
_Distance_constraint_stats_list.Viol_count 254
_Distance_constraint_stats_list.Viol_total 523.096
_Distance_constraint_stats_list.Viol_max 0.425
_Distance_constraint_stats_list.Viol_rms 0.0606
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0191
_Distance_constraint_stats_list.Viol_average_violations_only 0.1084
_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 56 ALA 0.040 0.040 5 0 "[ . 1 . ]"
1 57 LEU 0.238 0.073 15 0 "[ . 1 . ]"
1 58 LEU 5.538 0.296 11 0 "[ . 1 . ]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 60 VAL 7.283 0.425 16 0 "[ . 1 . ]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 68 SER 7.283 0.425 16 0 "[ . 1 . ]"
1 70 PHE 5.538 0.296 11 0 "[ . 1 . ]"
1 72 LEU 0.040 0.040 5 0 "[ . 1 . ]"
1 75 ALA 0.013 0.013 2 0 "[ . 1 . ]"
1 77 THR 0.562 0.130 7 0 "[ . 1 . ]"
1 78 SER 0.394 0.140 1 0 "[ . 1 . ]"
1 79 ALA 0.681 0.085 12 0 "[ . 1 . ]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 81 ARG 1.639 0.223 7 0 "[ . 1 . ]"
1 87 ILE 0.394 0.140 1 0 "[ . 1 . ]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 94 VAL 1.639 0.223 7 0 "[ . 1 . ]"
1 98 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 99 ALA 0.681 0.085 12 0 "[ . 1 . ]"
1 100 GLU 1.999 0.188 5 0 "[ . 1 . ]"
1 101 PHE 0.562 0.130 7 0 "[ . 1 . ]"
1 102 ARG 0.122 0.039 14 0 "[ . 1 . ]"
1 103 LEU 0.013 0.013 2 0 "[ . 1 . ]"
1 104 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 107 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 109 ASN 0.122 0.039 14 0 "[ . 1 . ]"
1 110 VAL 0.011 0.011 19 0 "[ . 1 . ]"
1 111 VAL 1.999 0.188 5 0 "[ . 1 . ]"
1 112 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 113 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 118 GLY 6.737 0.336 9 0 "[ . 1 . ]"
1 120 TYR 0.116 0.038 13 0 "[ . 1 . ]"
1 122 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 127 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 129 ALA 0.011 0.011 19 0 "[ . 1 . ]"
1 134 GLY 0.080 0.056 5 0 "[ . 1 . ]"
1 135 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 136 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 137 VAL 0.045 0.045 1 0 "[ . 1 . ]"
1 138 GLN 0.116 0.038 13 0 "[ . 1 . ]"
1 139 ILE 2.035 0.179 5 0 "[ . 1 . ]"
1 140 GLY 6.737 0.336 9 0 "[ . 1 . ]"
1 142 PHE 2.035 0.179 5 0 "[ . 1 . ]"
1 143 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 144 LEU 0.045 0.045 1 0 "[ . 1 . ]"
1 145 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 146 PHE 0.080 0.056 5 0 "[ . 1 . ]"
1 147 LEU 0.238 0.073 15 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 81 ARG HE 1 94 VAL O 2.100 . 2.600 2.648 2.419 2.823 0.223 7 0 "[ . 1 . ]" 2
2 1 81 ARG NE 1 94 VAL O 3.000 2.500 3.500 3.397 3.175 3.603 0.103 3 0 "[ . 1 . ]" 2
3 1 56 ALA O 1 72 LEU H 2.100 . 2.600 2.181 1.737 2.640 0.040 5 0 "[ . 1 . ]" 2
4 1 56 ALA O 1 72 LEU N 3.000 2.500 3.500 2.959 2.594 3.387 . 0 0 "[ . 1 . ]" 2
5 1 58 LEU H 1 70 PHE O 2.100 . 2.600 2.836 2.739 2.896 0.296 11 0 "[ . 1 . ]" 2
6 1 58 LEU N 1 70 PHE O 3.000 2.500 3.500 3.553 3.467 3.654 0.154 5 0 "[ . 1 . ]" 2
7 1 58 LEU O 1 70 PHE H 2.100 . 2.600 1.862 1.759 2.009 . 0 0 "[ . 1 . ]" 2
8 1 58 LEU O 1 70 PHE N 3.000 2.500 3.500 2.730 2.659 2.874 . 0 0 "[ . 1 . ]" 2
9 1 60 VAL H 1 68 SER O 2.100 . 2.600 1.766 1.685 1.840 . 0 0 "[ . 1 . ]" 2
10 1 60 VAL N 1 68 SER O 3.000 2.500 3.500 2.604 2.545 2.650 . 0 0 "[ . 1 . ]" 2
11 1 60 VAL O 1 68 SER H 2.100 . 2.600 2.941 2.856 3.025 0.425 16 0 "[ . 1 . ]" 2
12 1 60 VAL O 1 68 SER N 3.000 2.500 3.500 3.534 3.437 3.616 0.116 2 0 "[ . 1 . ]" 2
13 1 57 LEU H 1 147 LEU O 2.100 . 2.600 2.414 1.966 2.638 0.038 15 0 "[ . 1 . ]" 2
14 1 57 LEU N 1 147 LEU O 3.000 2.500 3.500 3.374 2.899 3.573 0.073 15 0 "[ . 1 . ]" 2
15 1 57 LEU O 1 147 LEU H 2.100 . 2.600 2.031 1.747 2.460 . 0 0 "[ . 1 . ]" 2
16 1 57 LEU O 1 147 LEU N 3.000 2.500 3.500 2.986 2.729 3.349 . 0 0 "[ . 1 . ]" 2
17 1 59 VAL H 1 145 VAL O 2.100 . 2.600 1.710 1.616 1.805 . 0 0 "[ . 1 . ]" 2
18 1 59 VAL N 1 145 VAL O 3.000 2.500 3.500 2.646 2.589 2.701 . 0 0 "[ . 1 . ]" 2
19 1 59 VAL O 1 145 VAL H 2.100 . 2.600 1.733 1.647 1.897 . 0 0 "[ . 1 . ]" 2
20 1 59 VAL O 1 145 VAL N 3.000 2.500 3.500 2.700 2.626 2.779 . 0 0 "[ . 1 . ]" 2
21 1 61 LYS H 1 143 ARG O 2.100 . 2.600 2.038 1.859 2.235 . 0 0 "[ . 1 . ]" 2
22 1 61 LYS N 1 143 ARG O 3.000 2.500 3.500 2.808 2.620 3.022 . 0 0 "[ . 1 . ]" 2
23 1 134 GLY H 1 146 PHE O 2.100 . 2.600 2.221 1.871 2.621 0.021 11 0 "[ . 1 . ]" 2
24 1 134 GLY N 1 146 PHE O 3.000 2.500 3.500 3.162 2.822 3.556 0.056 5 0 "[ . 1 . ]" 2
25 1 135 ASP O 1 146 PHE H 2.100 . 2.600 1.955 1.710 2.276 . 0 0 "[ . 1 . ]" 2
26 1 135 ASP O 1 146 PHE N 3.000 2.500 3.500 2.866 2.636 3.158 . 0 0 "[ . 1 . ]" 2
27 1 137 VAL H 1 144 LEU O 2.100 . 2.600 1.882 1.555 2.121 0.045 1 0 "[ . 1 . ]" 2
28 1 137 VAL N 1 144 LEU O 3.000 2.500 3.500 2.760 2.531 2.987 . 0 0 "[ . 1 . ]" 2
29 1 137 VAL O 1 144 LEU H 2.100 . 2.600 1.855 1.692 2.129 . 0 0 "[ . 1 . ]" 2
30 1 137 VAL O 1 144 LEU N 3.000 2.500 3.500 2.740 2.593 2.905 . 0 0 "[ . 1 . ]" 2
31 1 139 ILE H 1 142 PHE O 2.100 . 2.600 2.647 2.403 2.779 0.179 5 0 "[ . 1 . ]" 2
32 1 139 ILE N 1 142 PHE O 3.000 2.500 3.500 3.497 3.291 3.636 0.136 1 0 "[ . 1 . ]" 2
33 1 122 ASN H 1 136 GLU O 2.100 . 2.600 1.990 1.755 2.360 . 0 0 "[ . 1 . ]" 2
34 1 122 ASN N 1 136 GLU O 3.000 2.500 3.500 2.878 2.634 3.170 . 0 0 "[ . 1 . ]" 2
35 1 120 TYR O 1 138 GLN H 2.100 . 2.600 1.651 1.568 1.731 0.032 2 0 "[ . 1 . ]" 2
36 1 120 TYR O 1 138 GLN N 3.000 2.500 3.500 2.595 2.544 2.679 . 0 0 "[ . 1 . ]" 2
37 1 120 TYR H 1 138 GLN O 2.100 . 2.600 2.162 1.972 2.620 0.020 13 0 "[ . 1 . ]" 2
38 1 120 TYR N 1 138 GLN O 3.000 2.500 3.500 3.115 2.915 3.538 0.038 13 0 "[ . 1 . ]" 2
39 1 118 GLY O 1 140 GLY H 2.100 . 2.600 2.805 2.631 2.928 0.328 9 0 "[ . 1 . ]" 2
40 1 118 GLY O 1 140 GLY N 3.000 2.500 3.500 3.616 3.315 3.836 0.336 9 0 "[ . 1 . ]" 2
41 1 110 VAL H 1 129 ALA O 2.100 . 2.600 1.974 1.767 2.186 . 0 0 "[ . 1 . ]" 2
42 1 110 VAL N 1 129 ALA O 3.000 2.500 3.500 2.874 2.685 3.076 . 0 0 "[ . 1 . ]" 2
43 1 110 VAL O 1 129 ALA H 2.100 . 2.600 2.367 2.122 2.611 0.011 19 0 "[ . 1 . ]" 2
44 1 110 VAL O 1 129 ALA N 3.000 2.500 3.500 3.151 2.940 3.317 . 0 0 "[ . 1 . ]" 2
45 1 112 ASP H 1 127 ASP O 2.100 . 2.600 2.014 1.803 2.194 . 0 0 "[ . 1 . ]" 2
46 1 112 ASP N 1 127 ASP O 3.000 2.500 3.500 2.900 2.735 3.052 . 0 0 "[ . 1 . ]" 2
47 1 104 GLU O 1 107 GLU H 2.100 . 2.600 2.056 1.799 2.364 . 0 0 "[ . 1 . ]" 2
48 1 104 GLU O 1 107 GLU N 3.000 2.500 3.500 2.971 2.742 3.286 . 0 0 "[ . 1 . ]" 2
49 1 104 GLU H 1 107 GLU O 2.100 . 2.600 2.048 1.791 2.252 . 0 0 "[ . 1 . ]" 2
50 1 104 GLU N 1 107 GLU O 3.000 2.500 3.500 2.897 2.673 3.079 . 0 0 "[ . 1 . ]" 2
51 1 102 ARG O 1 109 ASN H 2.100 . 2.600 2.352 1.822 2.639 0.039 14 0 "[ . 1 . ]" 2
52 1 102 ARG O 1 109 ASN N 3.000 2.500 3.500 3.099 2.734 3.373 . 0 0 "[ . 1 . ]" 2
53 1 102 ARG H 1 109 ASN O 2.100 . 2.600 2.066 1.772 2.343 . 0 0 "[ . 1 . ]" 2
54 1 102 ARG N 1 109 ASN O 3.000 2.500 3.500 2.856 2.711 3.085 . 0 0 "[ . 1 . ]" 2
55 1 100 GLU O 1 111 VAL H 2.100 . 2.600 2.532 2.154 2.680 0.080 19 0 "[ . 1 . ]" 2
56 1 100 GLU O 1 111 VAL N 3.000 2.500 3.500 3.427 3.129 3.548 0.048 5 0 "[ . 1 . ]" 2
57 1 100 GLU H 1 111 VAL O 2.100 . 2.600 2.627 2.325 2.788 0.188 5 0 "[ . 1 . ]" 2
58 1 100 GLU N 1 111 VAL O 3.000 2.500 3.500 3.412 3.164 3.544 0.044 5 0 "[ . 1 . ]" 2
59 1 98 HIS O 1 113 VAL H 2.100 . 2.600 1.954 1.813 2.097 . 0 0 "[ . 1 . ]" 2
60 1 98 HIS O 1 113 VAL N 3.000 2.500 3.500 2.876 2.728 3.025 . 0 0 "[ . 1 . ]" 2
61 1 75 ALA O 1 103 LEU H 2.100 . 2.600 2.104 1.672 2.613 0.013 2 0 "[ . 1 . ]" 2
62 1 75 ALA O 1 103 LEU N 3.000 2.500 3.500 2.993 2.626 3.304 . 0 0 "[ . 1 . ]" 2
63 1 77 THR H 1 101 PHE O 2.100 . 2.600 2.530 2.098 2.730 0.130 7 0 "[ . 1 . ]" 2
64 1 77 THR N 1 101 PHE O 3.000 2.500 3.500 3.350 3.041 3.506 0.006 7 0 "[ . 1 . ]" 2
65 1 77 THR O 1 101 PHE H 2.100 . 2.600 2.063 1.789 2.578 . 0 0 "[ . 1 . ]" 2
66 1 77 THR O 1 101 PHE N 3.000 2.500 3.500 2.874 2.681 3.178 . 0 0 "[ . 1 . ]" 2
67 1 79 ALA H 1 99 ALA O 2.100 . 2.600 2.062 1.778 2.617 0.017 15 0 "[ . 1 . ]" 2
68 1 79 ALA N 1 99 ALA O 3.000 2.500 3.500 2.876 2.674 3.298 . 0 0 "[ . 1 . ]" 2
69 1 79 ALA O 1 99 ALA H 2.100 . 2.600 2.548 2.338 2.631 0.031 1 0 "[ . 1 . ]" 2
70 1 79 ALA O 1 99 ALA N 3.000 2.500 3.500 3.493 3.288 3.585 0.085 12 0 "[ . 1 . ]" 2
71 1 78 SER O 1 87 ILE H 2.100 . 2.600 2.428 2.066 2.740 0.140 1 0 "[ . 1 . ]" 2
72 1 78 SER O 1 87 ILE N 3.000 2.500 3.500 3.312 2.976 3.555 0.055 19 0 "[ . 1 . ]" 2
73 1 80 GLY H 1 87 ILE O 2.100 . 2.600 2.003 1.788 2.347 . 0 0 "[ . 1 . ]" 2
74 1 80 GLY N 1 87 ILE O 3.000 2.500 3.500 2.965 2.756 3.296 . 0 0 "[ . 1 . ]" 2
75 1 80 GLY O 1 89 LEU H 2.100 . 2.600 1.835 1.622 2.080 . 0 0 "[ . 1 . ]" 2
76 1 80 GLY O 1 89 LEU N 3.000 2.500 3.500 2.741 2.600 2.953 . 0 0 "[ . 1 . ]" 2
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