NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
650663 |
6twe   |
19984 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6twe
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 1147
_Distance_constraint_stats_list.Viol_count 1029
_Distance_constraint_stats_list.Viol_total 4445.676
_Distance_constraint_stats_list.Viol_max 1.148
_Distance_constraint_stats_list.Viol_rms 0.0591
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0097
_Distance_constraint_stats_list.Viol_average_violations_only 0.2160
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLY 0.694 0.436 17 0 "[ . 1 . 2]"
1 3 PHE 1.328 0.354 20 0 "[ . 1 . 2]"
1 4 ILE 2.865 0.853 9 1 "[ . +1 . 2]"
1 5 GLU 0.038 0.038 9 0 "[ . 1 . 2]"
1 6 LYS 4.984 0.853 9 1 "[ . +1 . 2]"
1 7 PRO 1.626 0.579 8 1 "[ . + 1 . 2]"
1 8 GLY 3.408 0.438 4 0 "[ . 1 . 2]"
1 9 SER 0.071 0.067 5 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.737 0.171 7 0 "[ . 1 . 2]"
1 12 ALA 0.071 0.067 5 0 "[ . 1 . 2]"
1 13 LEU 3.041 0.411 1 0 "[ . 1 . 2]"
1 14 CYS 0.348 0.126 5 0 "[ . 1 . 2]"
1 15 SER 0.033 0.033 19 0 "[ . 1 . 2]"
1 16 GLU 1.407 0.361 11 0 "[ . 1 . 2]"
1 17 ALA 0.373 0.191 11 0 "[ . 1 . 2]"
1 18 PHE 0.865 0.490 7 0 "[ . 1 . 2]"
1 19 GLY 0.504 0.361 11 0 "[ . 1 . 2]"
1 20 PHE 2.290 0.490 7 0 "[ . 1 . 2]"
1 21 LEU 0.886 0.237 14 0 "[ . 1 . 2]"
1 22 ASN 1.326 0.371 5 0 "[ . 1 . 2]"
1 23 LEU 8.696 0.799 5 6 "[ *+ *1 . - **]"
1 24 ASN 8.237 0.799 5 6 "[ *+ *1 . - **]"
1 25 CYS 0.456 0.129 8 0 "[ . 1 . 2]"
1 26 GLY 2.037 0.612 17 1 "[ . 1 . + 2]"
1 27 SER 2.089 0.612 17 1 "[ . 1 . + 2]"
1 28 VAL 3.484 1.148 8 4 "[ * . + * -. 2]"
1 29 MET 0.093 0.067 20 0 "[ . 1 . 2]"
1 30 TYR 0.026 0.026 16 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PRO 0.005 0.005 2 0 "[ . 1 . 2]"
1 33 GLN 1.906 0.436 17 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.901 0.635 5 1 "[ + 1 . 2]"
1 36 GLU 1.427 0.250 7 0 "[ . 1 . 2]"
1 37 ALA 1.488 0.250 7 0 "[ . 1 . 2]"
1 38 LYS 1.614 0.290 3 0 "[ . 1 . 2]"
1 39 LYS 2.619 0.742 10 1 "[ . + . 2]"
1 40 GLY 2.162 0.742 10 1 "[ . + . 2]"
1 41 PHE 3.985 0.714 10 2 "[ - . + . 2]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 HIS 3.475 0.689 2 1 "[ + . 1 . 2]"
1 44 SER 0.555 0.297 8 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 3.806 0.875 17 2 "[ . 1- . + 2]"
1 48 ASP 3.463 0.377 17 0 "[ . 1 . 2]"
1 49 GLY 0.549 0.327 13 0 "[ . 1 . 2]"
1 50 GLN 0.290 0.146 9 0 "[ . 1 . 2]"
1 51 ILE 1.155 0.367 8 0 "[ . 1 . 2]"
1 52 ALA 0.066 0.035 19 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ALA 0.189 0.094 13 0 "[ . 1 . 2]"
1 55 GLY 0.130 0.102 11 0 "[ . 1 . 2]"
1 56 GLY 3.806 0.875 17 2 "[ . 1- . + 2]"
1 57 LEU 9.402 0.580 2 1 "[ + . 1 . 2]"
1 58 PHE 6.240 0.580 2 1 "[ + . 1 . 2]"
1 59 GLY 3.967 0.487 13 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ILE 5.035 0.749 15 1 "[ . 1 + 2]"
1 62 LEU 0.128 0.105 16 0 "[ . 1 . 2]"
1 63 ASP 0.070 0.055 7 0 "[ . 1 . 2]"
1 64 GLN 1.831 0.749 15 1 "[ . 1 + 2]"
1 65 GLN 0.753 0.203 5 0 "[ . 1 . 2]"
1 66 SER 1.965 0.436 5 0 "[ . 1 . 2]"
1 67 GLU 0.047 0.047 14 0 "[ . 1 . 2]"
1 68 ASN 7.527 1.148 8 6 "[ * . *+ * * -. 2]"
1 69 ARG 24.777 0.807 3 12 "[* + -*** * * *** *2]"
1 70 TRP 27.685 0.807 3 13 "[* + -*** * ** *** *2]"
1 71 PHE 2.207 0.614 1 1 "[+ . 1 . 2]"
1 72 LYS 0.988 0.618 9 1 "[ . +1 . 2]"
1 73 HIS 3.964 0.579 8 1 "[ . + 1 . 2]"
1 74 ILE 0.862 0.363 3 0 "[ . 1 . 2]"
1 75 MET 5.745 0.386 20 0 "[ . 1 . 2]"
1 76 THR 0.128 0.128 19 0 "[ . 1 . 2]"
1 77 GLY 0.224 0.224 1 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLU 3.327 0.672 1 5 "[+* . * 1 * - 2]"
1 80 HIS 4.080 0.386 20 0 "[ . 1 . 2]"
1 81 THR 1.688 0.413 12 0 "[ . 1 . 2]"
1 82 PHE 0.617 0.230 18 0 "[ . 1 . 2]"
1 83 THR 1.439 0.626 9 1 "[ . +1 . 2]"
1 84 TRP 1.495 0.435 9 0 "[ . 1 . 2]"
1 85 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 TYR 3.137 0.380 9 0 "[ . 1 . 2]"
1 87 THR 0.885 0.354 20 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 THR 2.900 0.322 8 0 "[ . 1 . 2]"
1 93 SER 4.421 0.365 7 0 "[ . 1 . 2]"
1 94 GLN 1.085 0.253 13 0 "[ . 1 . 2]"
1 95 TRP 15.544 0.737 12 6 "[ * . *1 +* - * 2]"
1 96 HIS 6.091 0.384 11 0 "[ . 1 . 2]"
1 97 TYR 0.010 0.010 4 0 "[ . 1 . 2]"
1 98 TYR 0.742 0.356 13 0 "[ . 1 . 2]"
1 99 ILE 1.051 0.335 17 0 "[ . 1 . 2]"
1 100 THR 0.256 0.151 2 0 "[ . 1 . 2]"
1 101 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 LYS 0.941 0.486 20 0 "[ . 1 . 2]"
1 103 GLY 1.248 0.253 16 0 "[ . 1 . 2]"
1 104 TRP 3.558 0.607 4 1 "[ +. 1 . 2]"
1 105 ASP 0.052 0.052 13 0 "[ . 1 . 2]"
1 106 PRO 10.286 0.775 12 11 "[ ** **1 +**** -*]"
1 107 ASP 0.387 0.147 19 0 "[ . 1 . 2]"
1 108 LYS 10.684 0.775 12 11 "[ ** **1 +**** -*]"
1 109 PRO 19.924 0.908 11 9 "[-* *. ****+* . 2]"
1 110 LEU 13.917 0.695 4 3 "[ * +. * 1 . 2]"
1 111 LYS 0.706 0.333 7 0 "[ . 1 . 2]"
1 112 ARG 1.530 0.256 8 0 "[ . 1 . 2]"
1 113 ALA 8.837 0.908 11 7 "[- . ****+* . 2]"
1 114 ASP 1.944 0.256 8 0 "[ . 1 . 2]"
1 115 PHE 0.737 0.335 17 0 "[ . 1 . 2]"
1 116 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 LEU 5.216 0.657 12 2 "[ - 1 + . 2]"
1 118 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ALA 4.775 0.657 12 2 "[ - 1 + . 2]"
1 121 VAL 7.985 0.833 1 6 "[+ *. ** * . -]"
1 122 PRO 6.472 0.592 18 1 "[ . 1 . + 2]"
1 123 HIS 2.349 0.322 8 0 "[ . 1 . 2]"
1 124 ASP 2.362 0.590 9 2 "[ -. +1 . 2]"
1 125 GLY 2.362 0.590 9 2 "[ -. +1 . 2]"
1 126 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 PRO 0.548 0.252 5 0 "[ . 1 . 2]"
1 128 ALA 0.548 0.252 5 0 "[ . 1 . 2]"
1 129 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 ASN 0.201 0.098 19 0 "[ . 1 . 2]"
1 132 LEU 5.671 0.737 12 3 "[ . *1 + - 2]"
1 133 SER 0.608 0.138 10 0 "[ . 1 . 2]"
1 134 HIS 3.508 0.531 20 1 "[ . 1 . +]"
1 135 HIS 7.683 0.833 1 5 "[+ *. *- * . 2]"
1 136 ILE 5.186 0.843 5 5 "[ ** + *- . 2]"
1 137 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 ILE 0.173 0.149 17 0 "[ . 1 . 2]"
1 139 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 GLU 0.230 0.079 10 0 "[ . 1 . 2]"
1 141 ASP 0.079 0.079 10 0 "[ . 1 . 2]"
1 142 ARG 0.219 0.108 16 0 "[ . 1 . 2]"
1 143 LEU 5.929 0.441 13 0 "[ . 1 . 2]"
1 144 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 TYR 5.628 0.453 15 0 "[ . 1 . 2]"
1 146 HIS 0.116 0.074 17 0 "[ . 1 . 2]"
1 147 VAL 0.179 0.074 17 0 "[ . 1 . 2]"
1 148 ILE 5.533 0.843 5 5 "[ ** + *- . 2]"
1 149 LEU 0.821 0.356 13 0 "[ . 1 . 2]"
1 150 ALA 2.032 0.265 13 0 "[ . 1 . 2]"
1 151 VAL 1.349 0.373 20 0 "[ . 1 . 2]"
1 152 TRP 3.206 0.625 13 2 "[ - . 1 + . 2]"
1 153 ASP 0.298 0.298 19 0 "[ . 1 . 2]"
1 154 VAL 0.792 0.369 14 0 "[ . 1 . 2]"
1 155 ALA 1.367 0.365 7 0 "[ . 1 . 2]"
1 156 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 157 THR 0.124 0.124 14 0 "[ . 1 . 2]"
1 158 GLU 1.194 0.224 6 0 "[ . 1 . 2]"
1 159 ASN 2.591 0.301 7 0 "[ . 1 . 2]"
1 160 ALA 3.096 0.743 17 1 "[ . 1 . + 2]"
1 161 PHE 0.062 0.062 6 0 "[ . 1 . 2]"
1 162 TYR 1.216 0.743 17 1 "[ . 1 . + 2]"
1 163 GLN 1.614 0.635 5 1 "[ + 1 . 2]"
1 164 VAL 2.396 0.544 13 1 "[ . 1 + . 2]"
1 165 ILE 1.806 0.614 1 1 "[+ . 1 . 2]"
1 166 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 167 VAL 1.621 0.304 8 0 "[ . 1 . 2]"
1 168 ASP 2.740 0.324 4 0 "[ . 1 . 2]"
1 169 LEU 0.273 0.224 1 0 "[ . 1 . 2]"
1 170 VAL 3.496 0.441 13 0 "[ . 1 . 2]"
1 171 ASN 0.008 0.007 19 0 "[ . 1 . 2]"
1 172 LYS 3.991 0.363 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLY H 1 33 GLN QG 5.340 . 5.940 4.276 3.286 6.376 0.436 17 0 "[ . 1 . 2]" 1
2 1 2 GLY QA 1 3 PHE H 2.910 . 3.510 2.288 2.032 2.715 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY QA 1 3 PHE QD 5.940 . 6.540 3.296 2.671 4.053 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLY QA 1 86 TYR HA 2.990 . 3.590 2.565 2.076 3.780 0.190 7 0 "[ . 1 . 2]" 1
5 1 3 PHE H 1 3 PHE HA 2.800 . 3.400 2.859 2.810 2.920 . 0 0 "[ . 1 . 2]" 1
6 1 3 PHE H 1 84 TRP QB 4.730 . 5.330 4.396 2.631 5.180 . 0 0 "[ . 1 . 2]" 1
7 1 3 PHE H 1 85 THR H 3.390 . 3.990 3.012 2.789 3.374 . 0 0 "[ . 1 . 2]" 1
8 1 3 PHE H 1 85 THR MG 5.090 . 5.690 3.928 2.796 5.527 . 0 0 "[ . 1 . 2]" 1
9 1 3 PHE H 1 86 TYR HA 3.050 . 3.650 3.570 3.324 3.790 0.140 20 0 "[ . 1 . 2]" 1
10 1 3 PHE HA 1 3 PHE QB 2.550 . 3.150 2.206 1.980 2.406 . 0 0 "[ . 1 . 2]" 1
11 1 3 PHE HA 1 4 ILE H 2.860 . 3.460 2.402 2.259 2.548 . 0 0 "[ . 1 . 2]" 1
12 1 3 PHE QB 1 4 ILE H 3.130 . 3.730 2.657 2.236 3.278 . 0 0 "[ . 1 . 2]" 1
13 1 3 PHE QD 1 4 ILE H 7.190 . 7.790 3.763 3.057 4.521 . 0 0 "[ . 1 . 2]" 1
14 1 3 PHE QD 1 85 THR H 7.130 . 7.730 4.772 4.029 5.539 . 0 0 "[ . 1 . 2]" 1
15 1 3 PHE QD 1 85 THR MG 7.410 . 8.010 3.979 2.488 6.510 . 0 0 "[ . 1 . 2]" 1
16 1 3 PHE QE 1 87 THR HB 4.780 . 5.380 4.420 2.650 5.734 0.354 20 0 "[ . 1 . 2]" 1
17 1 4 ILE H 1 4 ILE HB 3.110 . 3.710 2.552 2.278 3.072 . 0 0 "[ . 1 . 2]" 1
18 1 4 ILE H 1 4 ILE QG 4.120 . 4.720 2.473 2.059 4.101 . 0 0 "[ . 1 . 2]" 1
19 1 4 ILE HA 1 4 ILE MG 3.420 . 4.020 2.477 2.290 3.121 . 0 0 "[ . 1 . 2]" 1
20 1 4 ILE HA 1 5 GLU H 2.800 . 3.400 2.239 2.010 2.408 . 0 0 "[ . 1 . 2]" 1
21 1 4 ILE HA 1 84 TRP HA 2.520 . 3.120 2.563 2.139 3.116 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE HB 1 4 ILE MD 3.420 . 4.020 2.678 2.220 3.267 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE MD 1 71 PHE QE 6.200 . 6.800 4.413 2.427 6.310 . 0 0 "[ . 1 . 2]" 1
24 1 4 ILE MD 1 82 PHE QD 6.140 . 6.740 5.332 3.822 6.970 0.230 18 0 "[ . 1 . 2]" 1
25 1 4 ILE MD 1 84 TRP HD1 4.910 . 5.510 4.073 2.274 5.869 0.359 16 0 "[ . 1 . 2]" 1
26 1 4 ILE MD 1 84 TRP HE1 4.720 . 5.320 3.562 2.272 5.208 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE MD 1 165 ILE MD 4.560 . 5.160 2.771 2.124 4.085 . 0 0 "[ . 1 . 2]" 1
28 1 4 ILE MG 1 5 GLU H 5.340 . 5.940 2.869 2.418 4.154 . 0 0 "[ . 1 . 2]" 1
29 1 4 ILE MG 1 6 LYS H 3.420 . 4.020 2.662 1.694 4.873 0.853 9 1 "[ . +1 . 2]" 1
30 1 4 ILE MG 1 83 THR H 4.260 . 4.860 3.910 3.174 5.486 0.626 9 1 "[ . +1 . 2]" 1
31 1 4 ILE MG 1 84 TRP HA 3.880 . 4.480 3.884 3.044 4.915 0.435 9 0 "[ . 1 . 2]" 1
32 1 4 ILE MG 1 84 TRP HD1 3.420 . 4.020 2.993 2.163 4.216 0.196 18 0 "[ . 1 . 2]" 1
33 1 5 GLU H 1 5 GLU HB2 3.210 . 3.810 2.587 2.281 3.027 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLU H 1 5 GLU QB 2.650 . 3.250 2.323 2.112 2.672 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLU H 1 5 GLU HB3 3.210 . 3.810 2.744 2.295 3.658 . 0 0 "[ . 1 . 2]" 1
36 1 5 GLU H 1 5 GLU QG 4.730 . 5.330 3.879 3.167 4.206 . 0 0 "[ . 1 . 2]" 1
37 1 5 GLU H 1 6 LYS H 2.400 . 3.000 2.318 2.051 2.578 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLU H 1 84 TRP HA 2.800 . 3.400 2.658 2.027 3.438 0.038 9 0 "[ . 1 . 2]" 1
39 1 5 GLU HA 1 6 LYS H 3.270 . 3.870 3.291 2.454 3.568 . 0 0 "[ . 1 . 2]" 1
40 1 5 GLU QB 1 6 LYS H 4.230 . 4.830 2.869 2.451 3.802 . 0 0 "[ . 1 . 2]" 1
41 1 5 GLU QB 1 83 THR H 5.340 . 5.940 4.530 4.239 5.046 . 0 0 "[ . 1 . 2]" 1
42 1 5 GLU QG 1 6 LYS H 4.530 . 5.130 4.050 3.549 4.671 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS H 1 83 THR H 3.760 . 4.360 3.348 2.737 4.612 0.252 3 0 "[ . 1 . 2]" 1
44 1 6 LYS H 1 83 THR HB 5.380 . 5.980 3.277 2.342 4.864 . 0 0 "[ . 1 . 2]" 1
45 1 6 LYS HA 1 8 GLY H 2.520 . 3.120 3.126 2.738 3.431 0.311 18 0 "[ . 1 . 2]" 1
46 1 6 LYS QB 1 8 GLY H 3.640 . 4.240 3.629 2.455 4.678 0.438 4 0 "[ . 1 . 2]" 1
47 1 6 LYS QG 1 8 GLY H 3.770 . 4.370 3.770 2.193 4.714 0.344 15 0 "[ . 1 . 2]" 1
48 1 7 PRO HA 1 8 GLY H 2.400 . 3.000 2.100 1.835 2.282 . 0 0 "[ . 1 . 2]" 1
49 1 7 PRO QB 1 8 GLY H 3.240 . 3.840 3.179 2.882 3.386 . 0 0 "[ . 1 . 2]" 1
50 1 7 PRO QB 1 73 HIS HD2 4.680 . 5.280 4.772 2.817 5.859 0.579 8 1 "[ . + 1 . 2]" 1
51 1 7 PRO QD 1 82 PHE HA 3.640 . 4.240 2.566 2.055 3.938 . 0 0 "[ . 1 . 2]" 1
52 1 7 PRO QD 1 82 PHE QD 4.430 . 5.030 2.746 2.125 4.780 . 0 0 "[ . 1 . 2]" 1
53 1 7 PRO QD 1 83 THR H 3.970 . 4.570 3.458 2.810 4.046 . 0 0 "[ . 1 . 2]" 1
54 1 8 GLY H 1 8 GLY HA2 2.860 . 3.460 2.346 2.173 2.903 . 0 0 "[ . 1 . 2]" 1
55 1 8 GLY H 1 8 GLY HA3 2.860 . 3.460 2.735 2.208 2.870 . 0 0 "[ . 1 . 2]" 1
56 1 8 GLY H 1 9 SER H 4.230 . 4.830 4.188 2.259 4.748 . 0 0 "[ . 1 . 2]" 1
57 1 8 GLY HA2 1 9 SER H 3.110 . 3.710 2.606 2.237 3.420 . 0 0 "[ . 1 . 2]" 1
58 1 8 GLY HA3 1 9 SER H 3.110 . 3.710 2.688 2.214 3.537 . 0 0 "[ . 1 . 2]" 1
59 1 9 SER H 1 9 SER QB 3.120 . 3.720 2.530 2.197 3.064 . 0 0 "[ . 1 . 2]" 1
60 1 9 SER HA 1 10 ARG H 3.330 . 3.930 2.306 1.988 2.804 . 0 0 "[ . 1 . 2]" 1
61 1 9 SER HA 1 11 ALA H 3.640 . 4.240 3.645 3.198 4.029 . 0 0 "[ . 1 . 2]" 1
62 1 9 SER HA 1 12 ALA H 4.600 . 5.200 4.473 4.031 5.267 0.067 5 0 "[ . 1 . 2]" 1
63 1 10 ARG H 1 10 ARG HB2 3.640 . 4.240 3.092 2.234 3.689 . 0 0 "[ . 1 . 2]" 1
64 1 10 ARG H 1 10 ARG HB3 3.640 . 4.240 2.767 2.421 3.589 . 0 0 "[ . 1 . 2]" 1
65 1 10 ARG H 1 11 ALA H 3.080 . 3.680 2.461 2.001 2.857 . 0 0 "[ . 1 . 2]" 1
66 1 10 ARG HA 1 11 ALA H 3.420 . 4.020 3.379 3.259 3.534 . 0 0 "[ . 1 . 2]" 1
67 1 10 ARG HA 1 12 ALA H 3.920 . 4.520 3.990 3.532 4.417 . 0 0 "[ . 1 . 2]" 1
68 1 10 ARG HA 1 13 LEU H 4.600 . 5.200 3.293 2.815 3.864 . 0 0 "[ . 1 . 2]" 1
69 1 10 ARG HA 1 13 LEU QB 4.060 . 4.660 3.002 2.326 3.988 . 0 0 "[ . 1 . 2]" 1
70 1 10 ARG HB2 1 11 ALA H 4.010 . 4.610 3.907 2.887 4.309 . 0 0 "[ . 1 . 2]" 1
71 1 10 ARG HB3 1 11 ALA H 4.010 . 4.610 3.746 2.795 4.381 . 0 0 "[ . 1 . 2]" 1
72 1 11 ALA H 1 11 ALA MB 3.420 . 4.020 2.239 2.113 2.353 . 0 0 "[ . 1 . 2]" 1
73 1 11 ALA H 1 12 ALA H 2.800 . 3.400 2.628 2.358 2.935 . 0 0 "[ . 1 . 2]" 1
74 1 11 ALA HA 1 13 LEU H 3.550 . 4.150 4.067 3.754 4.321 0.171 7 0 "[ . 1 . 2]" 1
75 1 11 ALA HA 1 14 CYS H 4.600 . 5.200 3.262 3.045 3.410 . 0 0 "[ . 1 . 2]" 1
76 1 11 ALA HA 1 14 CYS HB2 2.900 . 3.500 3.024 2.371 3.626 0.126 5 0 "[ . 1 . 2]" 1
77 1 11 ALA MB 1 12 ALA H 4.100 . 4.700 2.750 2.405 3.064 . 0 0 "[ . 1 . 2]" 1
78 1 12 ALA H 1 12 ALA HA 2.830 . 3.430 2.768 2.661 2.874 . 0 0 "[ . 1 . 2]" 1
79 1 12 ALA H 1 12 ALA MB 3.420 . 4.020 2.252 2.174 2.328 . 0 0 "[ . 1 . 2]" 1
80 1 12 ALA H 1 13 LEU H 2.800 . 3.400 2.611 2.388 2.836 . 0 0 "[ . 1 . 2]" 1
81 1 12 ALA HA 1 14 CYS H 4.570 . 5.170 4.057 3.553 4.665 . 0 0 "[ . 1 . 2]" 1
82 1 12 ALA HA 1 15 SER H 4.600 . 5.200 3.739 3.173 5.025 . 0 0 "[ . 1 . 2]" 1
83 1 12 ALA HA 1 15 SER QB 4.940 . 5.540 3.407 2.682 5.477 . 0 0 "[ . 1 . 2]" 1
84 1 12 ALA MB 1 13 LEU H 3.640 . 4.240 2.723 2.408 2.954 . 0 0 "[ . 1 . 2]" 1
85 1 13 LEU H 1 13 LEU QB 3.140 . 3.740 2.312 1.993 2.496 . 0 0 "[ . 1 . 2]" 1
86 1 13 LEU H 1 14 CYS H 2.860 . 3.460 2.389 2.115 2.704 . 0 0 "[ . 1 . 2]" 1
87 1 13 LEU HA 1 14 CYS H 3.270 . 3.870 3.351 3.190 3.511 . 0 0 "[ . 1 . 2]" 1
88 1 13 LEU QB 1 14 CYS H 2.850 . 3.450 2.914 2.619 3.213 . 0 0 "[ . 1 . 2]" 1
89 1 13 LEU QB 1 73 HIS HE1 5.340 . 5.940 5.672 4.827 6.351 0.411 1 0 "[ . 1 . 2]" 1
90 1 13 LEU HB2 1 14 CYS H 3.580 . 4.180 3.034 2.688 3.364 . 0 0 "[ . 1 . 2]" 1
91 1 13 LEU HB3 1 14 CYS H 3.580 . 4.180 3.784 3.401 4.124 . 0 0 "[ . 1 . 2]" 1
92 1 13 LEU QD 1 71 PHE QE 7.150 . 7.750 3.679 2.440 5.299 . 0 0 "[ . 1 . 2]" 1
93 1 13 LEU QD 1 73 HIS HE1 3.590 . 4.190 3.040 2.146 4.225 0.035 1 0 "[ . 1 . 2]" 1
94 1 13 LEU QD 1 74 ILE H 4.930 . 5.530 5.098 3.516 5.893 0.363 3 0 "[ . 1 . 2]" 1
95 1 14 CYS CB 1 25 CYS SG 3.100 . 3.700 3.070 2.989 3.186 . 0 0 "[ . 1 . 2]" 1
96 1 14 CYS H 1 14 CYS HA 2.900 . 3.500 2.792 2.659 2.880 . 0 0 "[ . 1 . 2]" 1
97 1 14 CYS H 1 14 CYS HB2 2.710 . 3.310 2.328 1.931 2.765 . 0 0 "[ . 1 . 2]" 1
98 1 14 CYS H 1 14 CYS HB3 2.400 . 3.000 2.548 1.989 3.113 0.113 12 0 "[ . 1 . 2]" 1
99 1 14 CYS H 1 15 SER H 2.830 . 3.430 2.537 2.167 3.044 . 0 0 "[ . 1 . 2]" 1
100 1 14 CYS HB2 1 15 SER H 3.950 . 4.550 3.852 3.184 4.185 . 0 0 "[ . 1 . 2]" 1
101 1 14 CYS HB3 1 15 SER H 2.710 . 3.310 3.029 2.438 3.343 0.033 19 0 "[ . 1 . 2]" 1
102 1 14 CYS SG 1 25 CYS CB 3.100 . 3.700 3.046 2.936 3.169 . 0 0 "[ . 1 . 2]" 1
103 1 14 CYS SG 1 25 CYS SG 2.100 . 2.700 2.030 1.994 2.074 . 0 0 "[ . 1 . 2]" 1
104 1 15 SER H 1 15 SER HA 2.860 . 3.460 2.736 2.619 2.853 . 0 0 "[ . 1 . 2]" 1
105 1 15 SER H 1 16 GLU H 4.260 . 4.860 4.621 4.491 4.790 . 0 0 "[ . 1 . 2]" 1
106 1 15 SER HA 1 15 SER HB2 2.960 . 3.560 2.491 2.314 2.949 . 0 0 "[ . 1 . 2]" 1
107 1 15 SER HA 1 15 SER QB 2.430 . 3.030 2.299 2.201 2.372 . 0 0 "[ . 1 . 2]" 1
108 1 15 SER HA 1 15 SER HB3 2.960 . 3.560 2.801 2.393 2.984 . 0 0 "[ . 1 . 2]" 1
109 1 15 SER HA 1 16 GLU H 2.400 . 3.000 2.369 2.199 2.587 . 0 0 "[ . 1 . 2]" 1
110 1 15 SER HA 1 17 ALA H 4.350 . 4.950 3.949 3.361 4.679 . 0 0 "[ . 1 . 2]" 1
111 1 15 SER HB2 1 16 GLU H 4.170 . 4.770 3.641 2.137 4.348 . 0 0 "[ . 1 . 2]" 1
112 1 15 SER HB2 1 17 ALA H 4.820 . 5.420 3.779 1.806 5.073 . 0 0 "[ . 1 . 2]" 1
113 1 15 SER HB3 1 16 GLU H 4.170 . 4.770 3.755 2.296 4.427 . 0 0 "[ . 1 . 2]" 1
114 1 15 SER HB3 1 17 ALA H 4.820 . 5.420 3.538 2.901 4.546 . 0 0 "[ . 1 . 2]" 1
115 1 16 GLU H 1 16 GLU HB2 3.480 . 4.080 2.472 2.101 3.403 . 0 0 "[ . 1 . 2]" 1
116 1 16 GLU H 1 16 GLU QB 2.810 . 3.410 2.289 1.804 2.689 . 0 0 "[ . 1 . 2]" 1
117 1 16 GLU H 1 16 GLU HB3 3.480 . 4.080 3.158 1.830 3.635 . 0 0 "[ . 1 . 2]" 1
118 1 16 GLU H 1 17 ALA H 2.770 . 3.370 2.626 2.170 3.261 . 0 0 "[ . 1 . 2]" 1
119 1 16 GLU H 1 17 ALA MB 5.620 . 6.220 4.308 3.820 4.858 . 0 0 "[ . 1 . 2]" 1
120 1 16 GLU QB 1 18 PHE H 4.360 . 4.960 4.611 3.130 4.896 . 0 0 "[ . 1 . 2]" 1
121 1 16 GLU QB 1 19 GLY H 4.530 . 5.130 4.625 3.923 5.491 0.361 11 0 "[ . 1 . 2]" 1
122 1 16 GLU QB 1 21 LEU H 5.340 . 5.940 5.513 4.120 6.070 0.130 12 0 "[ . 1 . 2]" 1
123 1 16 GLU QB 1 22 ASN H 5.340 . 5.940 5.284 3.405 6.155 0.215 16 0 "[ . 1 . 2]" 1
124 1 16 GLU HB2 1 17 ALA H 3.670 . 4.270 3.471 2.713 4.299 0.029 16 0 "[ . 1 . 2]" 1
125 1 16 GLU HB3 1 17 ALA H 3.670 . 4.270 3.715 2.413 4.315 0.045 7 0 "[ . 1 . 2]" 1
126 1 17 ALA H 1 17 ALA MB 3.420 . 4.020 2.261 2.123 2.935 . 0 0 "[ . 1 . 2]" 1
127 1 17 ALA H 1 18 PHE H 2.520 . 3.120 2.606 1.895 3.016 . 0 0 "[ . 1 . 2]" 1
128 1 17 ALA H 1 19 GLY H 4.040 . 4.640 4.276 3.577 4.681 0.041 15 0 "[ . 1 . 2]" 1
129 1 17 ALA HA 1 18 PHE H 3.270 . 3.870 3.386 3.220 3.533 . 0 0 "[ . 1 . 2]" 1
130 1 17 ALA HA 1 20 PHE H 4.600 . 5.200 4.159 2.979 5.391 0.191 11 0 "[ . 1 . 2]" 1
131 1 17 ALA MB 1 18 PHE H 3.760 . 4.360 2.852 2.564 3.309 . 0 0 "[ . 1 . 2]" 1
132 1 17 ALA MB 1 19 GLY H 5.310 . 5.910 4.468 4.233 4.715 . 0 0 "[ . 1 . 2]" 1
133 1 18 PHE H 1 18 PHE HA 2.620 . 3.220 2.736 2.600 2.827 . 0 0 "[ . 1 . 2]" 1
134 1 18 PHE H 1 19 GLY H 2.550 . 3.150 2.842 2.507 3.049 . 0 0 "[ . 1 . 2]" 1
135 1 18 PHE HA 1 19 GLY H 3.170 . 3.770 3.386 3.013 3.518 . 0 0 "[ . 1 . 2]" 1
136 1 18 PHE QB 1 19 GLY H 3.680 . 4.280 2.901 2.404 3.644 . 0 0 "[ . 1 . 2]" 1
137 1 18 PHE QB 1 20 PHE H 4.030 . 4.630 4.371 3.782 5.120 0.490 7 0 "[ . 1 . 2]" 1
138 1 18 PHE HB2 1 19 GLY H 4.200 . 4.800 3.864 2.550 4.220 . 0 0 "[ . 1 . 2]" 1
139 1 18 PHE HB3 1 19 GLY H 4.200 . 4.800 3.080 2.440 4.382 . 0 0 "[ . 1 . 2]" 1
140 1 19 GLY H 1 19 GLY HA2 2.900 . 3.500 2.732 2.323 2.901 . 0 0 "[ . 1 . 2]" 1
141 1 19 GLY H 1 19 GLY QA 2.290 . 2.890 2.349 2.206 2.457 . 0 0 "[ . 1 . 2]" 1
142 1 19 GLY H 1 19 GLY HA3 2.900 . 3.500 2.636 2.303 2.900 . 0 0 "[ . 1 . 2]" 1
143 1 19 GLY QA 1 20 PHE H 2.890 . 3.490 2.702 2.120 2.971 . 0 0 "[ . 1 . 2]" 1
144 1 19 GLY HA2 1 20 PHE H 3.420 . 4.020 3.045 2.145 3.439 . 0 0 "[ . 1 . 2]" 1
145 1 19 GLY HA3 1 20 PHE H 3.420 . 4.020 3.181 2.277 3.439 . 0 0 "[ . 1 . 2]" 1
146 1 20 PHE H 1 20 PHE HB2 3.270 . 3.870 3.042 2.354 3.776 . 0 0 "[ . 1 . 2]" 1
147 1 20 PHE H 1 20 PHE QB 2.850 . 3.450 2.818 2.048 3.321 . 0 0 "[ . 1 . 2]" 1
148 1 20 PHE H 1 20 PHE HB3 3.270 . 3.870 3.421 2.190 3.987 0.117 13 0 "[ . 1 . 2]" 1
149 1 20 PHE H 1 21 LEU H 3.050 . 3.650 3.172 1.765 3.887 0.237 14 0 "[ . 1 . 2]" 1
150 1 20 PHE H 1 22 ASN H 4.010 . 4.610 4.203 2.795 4.869 0.259 11 0 "[ . 1 . 2]" 1
151 1 20 PHE HA 1 21 LEU H 3.420 . 4.020 3.228 2.561 3.567 . 0 0 "[ . 1 . 2]" 1
152 1 20 PHE QB 1 21 LEU H 3.730 . 4.330 3.116 2.189 3.924 . 0 0 "[ . 1 . 2]" 1
153 1 21 LEU H 1 21 LEU HA 2.770 . 3.370 2.828 2.739 2.930 . 0 0 "[ . 1 . 2]" 1
154 1 21 LEU H 1 21 LEU HG 2.860 . 3.460 2.729 2.277 3.481 0.021 9 0 "[ . 1 . 2]" 1
155 1 21 LEU H 1 22 ASN H 3.080 . 3.680 2.324 1.945 2.744 . 0 0 "[ . 1 . 2]" 1
156 1 21 LEU QB 1 22 ASN H 3.230 . 3.830 2.951 2.434 3.585 . 0 0 "[ . 1 . 2]" 1
157 1 21 LEU QD 1 22 ASN H 6.420 . 7.020 4.284 3.995 4.534 . 0 0 "[ . 1 . 2]" 1
158 1 21 LEU HG 1 22 ASN H 4.450 . 5.050 4.533 4.128 5.072 0.022 14 0 "[ . 1 . 2]" 1
159 1 22 ASN H 1 22 ASN HA 2.900 . 3.500 2.835 2.159 2.933 . 0 0 "[ . 1 . 2]" 1
160 1 22 ASN H 1 22 ASN QB 2.900 . 3.500 2.721 2.223 3.260 . 0 0 "[ . 1 . 2]" 1
161 1 22 ASN HA 1 23 LEU H 2.400 . 3.000 2.502 2.272 2.779 . 0 0 "[ . 1 . 2]" 1
162 1 22 ASN QB 1 23 LEU H 2.900 . 3.500 2.731 2.124 3.871 0.371 5 0 "[ . 1 . 2]" 1
163 1 23 LEU H 1 23 LEU HA 2.650 . 3.250 2.784 2.652 2.883 . 0 0 "[ . 1 . 2]" 1
164 1 23 LEU H 1 23 LEU HG 3.140 . 3.740 3.515 3.128 3.975 0.235 4 0 "[ . 1 . 2]" 1
165 1 23 LEU HA 1 24 ASN H 2.680 . 3.280 2.470 2.183 2.832 . 0 0 "[ . 1 . 2]" 1
166 1 23 LEU HB2 1 24 ASN H 3.480 . 4.080 3.029 2.151 3.873 . 0 0 "[ . 1 . 2]" 1
167 1 23 LEU HB3 1 24 ASN H 2.550 . 3.150 3.075 2.113 3.949 0.799 5 6 "[ *+ *1 . - **]" 1
168 1 23 LEU HG 1 24 ASN H 3.080 . 3.680 3.596 2.839 4.003 0.323 14 0 "[ . 1 . 2]" 1
169 1 24 ASN H 1 24 ASN HA 2.590 . 3.190 2.770 1.991 2.975 . 0 0 "[ . 1 . 2]" 1
170 1 24 ASN H 1 24 ASN HB2 3.760 . 4.360 3.080 2.278 3.988 . 0 0 "[ . 1 . 2]" 1
171 1 24 ASN H 1 24 ASN QB 3.280 . 3.880 2.685 2.161 3.154 . 0 0 "[ . 1 . 2]" 1
172 1 24 ASN H 1 24 ASN HB3 3.760 . 4.360 3.076 2.588 3.781 . 0 0 "[ . 1 . 2]" 1
173 1 24 ASN H 1 25 CYS H 2.590 . 3.190 2.641 1.807 3.319 0.129 8 0 "[ . 1 . 2]" 1
174 1 24 ASN HA 1 25 CYS H 2.800 . 3.400 2.866 2.364 3.464 0.064 8 0 "[ . 1 . 2]" 1
175 1 24 ASN QB 1 25 CYS H 3.970 . 4.570 3.640 2.540 4.066 . 0 0 "[ . 1 . 2]" 1
176 1 24 ASN HB2 1 25 CYS H 4.540 . 5.140 4.347 3.816 4.641 . 0 0 "[ . 1 . 2]" 1
177 1 24 ASN HB3 1 25 CYS H 4.540 . 5.140 3.969 2.579 4.611 . 0 0 "[ . 1 . 2]" 1
178 1 25 CYS H 1 25 CYS HB2 2.830 . 3.430 2.592 1.941 3.336 . 0 0 "[ . 1 . 2]" 1
179 1 25 CYS H 1 25 CYS HB3 2.830 . 3.430 2.803 2.373 3.516 0.086 5 0 "[ . 1 . 2]" 1
180 1 25 CYS H 1 26 GLY H 2.400 . 3.000 2.377 1.659 3.007 0.007 4 0 "[ . 1 . 2]" 1
181 1 25 CYS HA 1 26 GLY H 3.520 . 4.120 3.346 3.034 3.540 . 0 0 "[ . 1 . 2]" 1
182 1 25 CYS QB 1 26 GLY H 3.130 . 3.730 2.890 2.195 3.495 . 0 0 "[ . 1 . 2]" 1
183 1 25 CYS HB2 1 26 GLY H 3.670 . 4.270 3.801 3.072 4.279 0.009 10 0 "[ . 1 . 2]" 1
184 1 25 CYS HB3 1 26 GLY H 3.670 . 4.270 3.042 2.215 3.945 . 0 0 "[ . 1 . 2]" 1
185 1 26 GLY H 1 26 GLY HA2 2.740 . 3.340 2.343 2.194 2.739 . 0 0 "[ . 1 . 2]" 1
186 1 26 GLY H 1 26 GLY HA3 2.740 . 3.340 2.777 2.212 2.923 . 0 0 "[ . 1 . 2]" 1
187 1 26 GLY H 1 27 SER H 3.050 . 3.650 3.385 2.504 4.262 0.612 17 1 "[ . 1 . + 2]" 1
188 1 26 GLY HA2 1 27 SER H 3.240 . 3.840 2.525 2.058 3.536 . 0 0 "[ . 1 . 2]" 1
189 1 26 GLY HA3 1 27 SER H 3.240 . 3.840 3.131 1.986 3.457 . 0 0 "[ . 1 . 2]" 1
190 1 27 SER H 1 27 SER HA 2.770 . 3.370 2.730 2.595 2.892 . 0 0 "[ . 1 . 2]" 1
191 1 27 SER H 1 28 VAL H 3.270 . 3.870 2.820 2.102 3.276 . 0 0 "[ . 1 . 2]" 1
192 1 27 SER HA 1 29 MET H 3.640 . 4.240 3.370 2.719 4.307 0.067 20 0 "[ . 1 . 2]" 1
193 1 28 VAL H 1 28 VAL HB 2.740 . 3.340 2.578 2.247 3.504 0.164 5 0 "[ . 1 . 2]" 1
194 1 28 VAL H 1 28 VAL MG1 3.700 . 4.300 2.917 2.113 3.866 . 0 0 "[ . 1 . 2]" 1
195 1 28 VAL H 1 28 VAL QG 3.220 . 3.820 2.151 1.582 2.546 . 0 0 "[ . 1 . 2]" 1
196 1 28 VAL H 1 28 VAL MG2 3.700 . 4.300 2.951 1.584 3.865 . 0 0 "[ . 1 . 2]" 1
197 1 28 VAL H 1 29 MET H 2.860 . 3.460 2.708 2.383 2.926 . 0 0 "[ . 1 . 2]" 1
198 1 28 VAL HB 1 29 MET H 3.790 . 4.390 3.636 2.514 4.246 . 0 0 "[ . 1 . 2]" 1
199 1 28 VAL QG 1 29 MET H 3.410 . 4.010 3.008 2.502 3.592 . 0 0 "[ . 1 . 2]" 1
200 1 28 VAL QG 1 30 TYR H 4.110 . 4.710 4.230 3.716 4.624 . 0 0 "[ . 1 . 2]" 1
201 1 28 VAL QG 1 68 ASN QB 4.520 . 5.120 4.442 2.634 6.268 1.148 8 4 "[ * . + * -. 2]" 1
202 1 29 MET H 1 29 MET QB 2.600 . 3.200 2.361 2.166 2.680 . 0 0 "[ . 1 . 2]" 1
203 1 29 MET H 1 29 MET QG 2.390 . 2.990 2.238 2.032 2.584 . 0 0 "[ . 1 . 2]" 1
204 1 29 MET H 1 30 TYR H 2.830 . 3.430 3.031 2.509 3.456 0.026 16 0 "[ . 1 . 2]" 1
205 1 29 MET QG 1 30 TYR H 3.610 . 4.210 2.858 2.460 3.553 . 0 0 "[ . 1 . 2]" 1
206 1 30 TYR H 1 30 TYR HB2 2.900 . 3.500 2.582 2.377 2.903 . 0 0 "[ . 1 . 2]" 1
207 1 30 TYR H 1 30 TYR HB3 3.170 . 3.770 2.484 2.305 2.588 . 0 0 "[ . 1 . 2]" 1
208 1 30 TYR H 1 31 GLU H 3.240 . 3.840 2.714 2.278 2.983 . 0 0 "[ . 1 . 2]" 1
209 1 30 TYR HA 1 30 TYR HB2 2.400 . 3.000 2.394 2.246 2.541 . 0 0 "[ . 1 . 2]" 1
210 1 30 TYR HA 1 31 GLU H 3.550 . 4.150 3.489 3.377 3.557 . 0 0 "[ . 1 . 2]" 1
211 1 30 TYR HB3 1 31 GLU H 2.800 . 3.400 2.538 2.215 2.819 . 0 0 "[ . 1 . 2]" 1
212 1 30 TYR QE 1 34 SER QB 6.080 . 6.680 6.207 5.826 6.495 . 0 0 "[ . 1 . 2]" 1
213 1 31 GLU HA 1 33 GLN H 5.500 . 6.100 3.521 2.934 3.911 . 0 0 "[ . 1 . 2]" 1
214 1 31 GLU QB 1 34 SER H 4.230 . 4.830 3.380 2.608 3.812 . 0 0 "[ . 1 . 2]" 1
215 1 32 PRO HB2 1 33 GLN H 3.330 . 3.930 3.590 3.291 3.935 0.005 2 0 "[ . 1 . 2]" 1
216 1 32 PRO QD 1 33 GLN H 4.390 . 4.990 2.795 2.657 3.019 . 0 0 "[ . 1 . 2]" 1
217 1 33 GLN H 1 33 GLN QB 2.750 . 3.350 2.486 2.220 3.045 . 0 0 "[ . 1 . 2]" 1
218 1 33 GLN H 1 34 SER H 2.770 . 3.370 2.554 2.033 3.002 . 0 0 "[ . 1 . 2]" 1
219 1 33 GLN HB2 1 34 SER H 4.600 . 5.200 4.063 2.992 4.481 . 0 0 "[ . 1 . 2]" 1
220 1 33 GLN HB3 1 34 SER H 4.600 . 5.200 4.042 2.460 4.458 . 0 0 "[ . 1 . 2]" 1
221 1 33 GLN QG 1 86 TYR QE 5.660 . 6.260 5.352 2.382 6.640 0.380 9 0 "[ . 1 . 2]" 1
222 1 34 SER H 1 34 SER QB 2.990 . 3.590 2.368 2.196 2.753 . 0 0 "[ . 1 . 2]" 1
223 1 34 SER H 1 35 LEU H 5.440 . 6.040 3.290 2.284 4.472 . 0 0 "[ . 1 . 2]" 1
224 1 34 SER HA 1 34 SER QB 2.490 . 3.090 2.356 2.203 2.457 . 0 0 "[ . 1 . 2]" 1
225 1 34 SER HA 1 35 LEU H 3.420 . 4.020 2.707 2.086 3.430 . 0 0 "[ . 1 . 2]" 1
226 1 34 SER QB 1 35 LEU H 4.940 . 5.540 3.778 3.263 4.052 . 0 0 "[ . 1 . 2]" 1
227 1 35 LEU H 1 35 LEU HB2 3.450 . 4.050 2.450 1.962 2.760 . 0 0 "[ . 1 . 2]" 1
228 1 35 LEU H 1 35 LEU QB 2.660 . 3.260 2.366 1.884 2.530 . 0 0 "[ . 1 . 2]" 1
229 1 35 LEU H 1 35 LEU HB3 3.450 . 4.050 3.364 2.429 3.667 . 0 0 "[ . 1 . 2]" 1
230 1 35 LEU H 1 36 GLU H 5.160 . 5.760 4.289 3.555 4.582 . 0 0 "[ . 1 . 2]" 1
231 1 35 LEU HA 1 35 LEU QD 3.410 . 4.010 2.375 2.035 2.988 . 0 0 "[ . 1 . 2]" 1
232 1 35 LEU HA 1 36 GLU H 2.400 . 3.000 2.291 2.079 2.726 . 0 0 "[ . 1 . 2]" 1
233 1 35 LEU QD 1 161 PHE QE 8.440 . 9.040 5.855 2.407 8.179 . 0 0 "[ . 1 . 2]" 1
234 1 35 LEU QD 1 163 GLN HA 3.410 . 4.010 3.245 2.382 4.645 0.635 5 1 "[ + 1 . 2]" 1
235 1 36 GLU H 1 36 GLU HB2 2.680 . 3.280 2.625 2.375 2.924 . 0 0 "[ . 1 . 2]" 1
236 1 36 GLU H 1 36 GLU HB3 3.580 . 4.180 3.676 3.472 3.866 . 0 0 "[ . 1 . 2]" 1
237 1 36 GLU H 1 37 ALA H 4.940 . 5.540 4.464 4.246 4.696 . 0 0 "[ . 1 . 2]" 1
238 1 36 GLU HA 1 37 ALA H 2.460 . 3.060 2.330 2.012 2.635 . 0 0 "[ . 1 . 2]" 1
239 1 36 GLU HB2 1 37 ALA H 3.050 . 3.650 3.677 3.338 3.900 0.250 7 0 "[ . 1 . 2]" 1
240 1 36 GLU HB3 1 37 ALA H 3.170 . 3.770 2.646 2.246 3.153 . 0 0 "[ . 1 . 2]" 1
241 1 37 ALA H 1 37 ALA HA 2.900 . 3.500 2.875 2.769 2.947 . 0 0 "[ . 1 . 2]" 1
242 1 37 ALA H 1 160 ALA H 5.500 . 6.100 3.123 2.536 5.171 . 0 0 "[ . 1 . 2]" 1
243 1 37 ALA H 1 161 PHE HA 3.520 . 4.120 3.730 3.025 4.182 0.062 6 0 "[ . 1 . 2]" 1
244 1 37 ALA H 1 162 TYR QD 7.100 . 7.700 4.379 2.752 6.273 . 0 0 "[ . 1 . 2]" 1
245 1 37 ALA H 1 162 TYR QE 7.630 . 8.230 4.794 2.299 7.685 . 0 0 "[ . 1 . 2]" 1
246 1 37 ALA HA 1 38 LYS H 2.710 . 3.310 2.508 2.317 2.734 . 0 0 "[ . 1 . 2]" 1
247 1 37 ALA MB 1 38 LYS H 3.600 . 4.200 2.839 2.047 3.807 . 0 0 "[ . 1 . 2]" 1
248 1 37 ALA MB 1 162 TYR QD 7.190 . 7.790 3.009 2.118 4.075 . 0 0 "[ . 1 . 2]" 1
249 1 37 ALA MB 1 162 TYR QE 5.770 . 6.370 2.860 2.020 4.705 . 0 0 "[ . 1 . 2]" 1
250 1 38 LYS H 1 38 LYS HB2 2.400 . 3.000 2.696 2.227 3.095 0.095 17 0 "[ . 1 . 2]" 1
251 1 38 LYS H 1 38 LYS HB3 2.990 . 3.590 2.872 2.475 3.499 . 0 0 "[ . 1 . 2]" 1
252 1 38 LYS HA 1 38 LYS HB2 2.900 . 3.500 2.546 2.365 2.930 . 0 0 "[ . 1 . 2]" 1
253 1 38 LYS HA 1 39 LYS H 2.680 . 3.280 2.403 2.131 3.441 0.161 19 0 "[ . 1 . 2]" 1
254 1 38 LYS HA 1 160 ALA H 4.660 . 5.260 3.711 2.972 4.833 . 0 0 "[ . 1 . 2]" 1
255 1 38 LYS HB2 1 160 ALA H 4.850 . 5.450 4.879 2.230 5.740 0.290 3 0 "[ . 1 . 2]" 1
256 1 38 LYS HB3 1 39 LYS H 3.330 . 3.930 3.379 1.984 3.980 0.050 3 0 "[ . 1 . 2]" 1
257 1 39 LYS H 1 39 LYS HB2 3.330 . 3.930 2.349 2.041 3.198 . 0 0 "[ . 1 . 2]" 1
258 1 39 LYS H 1 39 LYS HB3 2.900 . 3.500 3.290 1.987 3.622 0.122 11 0 "[ . 1 . 2]" 1
259 1 39 LYS H 1 159 ASN HA 3.240 . 3.840 3.434 2.470 4.141 0.301 7 0 "[ . 1 . 2]" 1
260 1 39 LYS HA 1 40 GLY H 3.360 . 3.960 2.404 2.046 2.657 . 0 0 "[ . 1 . 2]" 1
261 1 39 LYS HB2 1 40 GLY H 3.730 . 4.330 3.817 3.097 4.179 . 0 0 "[ . 1 . 2]" 1
262 1 39 LYS HB3 1 40 GLY H 2.860 . 3.460 2.892 1.955 4.202 0.742 10 1 "[ . + . 2]" 1
263 1 40 GLY H 1 40 GLY QA 2.540 . 3.140 2.319 2.179 2.476 . 0 0 "[ . 1 . 2]" 1
264 1 40 GLY QA 1 41 PHE QD 4.430 . 5.030 3.872 2.875 5.744 0.714 10 1 "[ . + . 2]" 1
265 1 41 PHE QD 1 43 HIS QB 4.900 . 5.500 5.185 3.384 6.189 0.689 2 1 "[ + . 1 . 2]" 1
266 1 42 PRO QD 1 43 HIS H 4.660 . 5.260 4.317 2.266 5.047 . 0 0 "[ . 1 . 2]" 1
267 1 43 HIS H 1 43 HIS QB 3.550 . 4.150 2.600 2.123 3.234 . 0 0 "[ . 1 . 2]" 1
268 1 43 HIS H 1 44 SER H 2.550 . 3.150 2.422 1.522 3.148 . 0 0 "[ . 1 . 2]" 1
269 1 43 HIS QB 1 44 SER H 3.050 . 3.650 3.140 2.483 3.947 0.297 8 0 "[ . 1 . 2]" 1
270 1 44 SER H 1 44 SER HA 2.400 . 3.000 2.355 2.018 2.784 . 0 0 "[ . 1 . 2]" 1
271 1 44 SER H 1 44 SER QB 3.410 . 4.010 2.759 2.108 3.439 . 0 0 "[ . 1 . 2]" 1
272 1 44 SER QB 1 45 GLY H 2.500 . 3.100 2.345 1.855 2.869 . 0 0 "[ . 1 . 2]" 1
273 1 45 GLY H 1 45 GLY HA2 2.620 . 3.220 2.798 2.756 2.883 . 0 0 "[ . 1 . 2]" 1
274 1 45 GLY H 1 45 GLY QA 2.220 . 2.820 2.173 2.126 2.251 . 0 0 "[ . 1 . 2]" 1
275 1 45 GLY H 1 45 GLY HA3 2.620 . 3.220 2.265 2.211 2.350 . 0 0 "[ . 1 . 2]" 1
276 1 45 GLY QA 1 46 PRO QD 2.700 . 3.300 2.163 1.983 2.392 . 0 0 "[ . 1 . 2]" 1
277 1 46 PRO QB 1 47 ALA H 3.210 . 3.810 2.758 2.139 3.401 . 0 0 "[ . 1 . 2]" 1
278 1 47 ALA H 1 47 ALA HA 2.590 . 3.190 2.761 2.635 2.919 . 0 0 "[ . 1 . 2]" 1
279 1 47 ALA HA 1 48 ASP H 2.550 . 3.150 2.216 1.960 2.472 . 0 0 "[ . 1 . 2]" 1
280 1 47 ALA MB 1 48 ASP H 3.850 . 4.450 3.190 2.569 3.761 . 0 0 "[ . 1 . 2]" 1
281 1 47 ALA MB 1 50 GLN H 5.030 . 5.630 4.524 3.429 5.478 . 0 0 "[ . 1 . 2]" 1
282 1 47 ALA MB 1 50 GLN QE 6.290 . 6.890 3.667 2.463 6.712 . 0 0 "[ . 1 . 2]" 1
283 1 47 ALA MB 1 56 GLY QA 4.820 . 5.420 4.677 2.276 6.295 0.875 17 2 "[ . 1- . + 2]" 1
284 1 48 ASP H 1 48 ASP HB3 2.740 . 3.340 3.051 2.278 3.717 0.377 17 0 "[ . 1 . 2]" 1
285 1 48 ASP HA 1 48 ASP HB3 2.430 . 3.030 2.697 2.336 2.934 . 0 0 "[ . 1 . 2]" 1
286 1 48 ASP HA 1 49 GLY H 2.590 . 3.190 2.367 2.040 2.817 . 0 0 "[ . 1 . 2]" 1
287 1 48 ASP HA 1 50 GLN H 3.240 . 3.840 3.382 2.955 3.986 0.146 9 0 "[ . 1 . 2]" 1
288 1 48 ASP HA 1 51 ILE H 5.190 . 5.790 5.288 3.990 6.157 0.367 8 0 "[ . 1 . 2]" 1
289 1 48 ASP HB3 1 49 GLY H 3.520 . 4.120 3.356 2.230 4.258 0.138 19 0 "[ . 1 . 2]" 1
290 1 49 GLY H 1 49 GLY QA 2.400 . 3.000 2.194 2.092 2.315 . 0 0 "[ . 1 . 2]" 1
291 1 49 GLY H 1 50 GLN H 2.800 . 3.400 2.624 2.195 3.450 0.050 9 0 "[ . 1 . 2]" 1
292 1 49 GLY H 1 51 ILE H 4.850 . 5.450 4.065 3.013 5.317 . 0 0 "[ . 1 . 2]" 1
293 1 49 GLY QA 1 50 GLN H 3.450 . 3.810 2.831 2.698 2.955 . 0 0 "[ . 1 . 2]" 1
294 1 49 GLY QA 1 162 TYR QE 5.220 . 5.820 5.064 2.195 6.147 0.327 13 0 "[ . 1 . 2]" 1
295 1 50 GLN H 1 50 GLN QB 2.620 . 3.220 2.540 2.264 3.066 . 0 0 "[ . 1 . 2]" 1
296 1 50 GLN H 1 51 ILE H 2.490 . 3.090 2.677 1.968 3.184 0.094 20 0 "[ . 1 . 2]" 1
297 1 50 GLN HA 1 51 ILE H 3.210 . 3.810 2.966 2.489 3.502 . 0 0 "[ . 1 . 2]" 1
298 1 50 GLN HA 1 52 ALA H 5.250 . 5.850 3.961 3.269 4.931 . 0 0 "[ . 1 . 2]" 1
299 1 50 GLN QB 1 51 ILE H 3.970 . 4.570 3.623 2.962 3.962 . 0 0 "[ . 1 . 2]" 1
300 1 51 ILE H 1 51 ILE HA 2.770 . 3.370 2.794 2.695 2.903 . 0 0 "[ . 1 . 2]" 1
301 1 51 ILE H 1 51 ILE HB 2.590 . 3.190 2.510 2.219 2.772 . 0 0 "[ . 1 . 2]" 1
302 1 51 ILE H 1 51 ILE MD 4.200 . 4.800 3.450 2.925 3.701 . 0 0 "[ . 1 . 2]" 1
303 1 51 ILE H 1 51 ILE QG 2.600 . 3.200 2.209 1.980 2.445 . 0 0 "[ . 1 . 2]" 1
304 1 51 ILE H 1 51 ILE MG 4.350 . 4.950 3.795 3.661 3.976 . 0 0 "[ . 1 . 2]" 1
305 1 51 ILE H 1 52 ALA H 2.650 . 3.250 2.565 2.159 2.901 . 0 0 "[ . 1 . 2]" 1
306 1 51 ILE HA 1 51 ILE MG 3.420 . 4.020 2.514 2.328 2.765 . 0 0 "[ . 1 . 2]" 1
307 1 51 ILE HA 1 52 ALA H 3.330 . 3.930 3.472 3.401 3.559 . 0 0 "[ . 1 . 2]" 1
308 1 51 ILE HB 1 52 ALA H 3.110 . 3.710 2.783 2.481 3.127 . 0 0 "[ . 1 . 2]" 1
309 1 51 ILE MD 1 52 ALA H 4.850 . 5.450 4.703 4.240 4.941 . 0 0 "[ . 1 . 2]" 1
310 1 51 ILE MG 1 52 ALA H 4.780 . 5.380 3.563 3.271 3.810 . 0 0 "[ . 1 . 2]" 1
311 1 52 ALA HA 1 54 ALA H 4.260 . 4.860 3.826 3.397 4.895 0.035 19 0 "[ . 1 . 2]" 1
312 1 53 SER H 1 53 SER HA 2.800 . 3.400 2.843 2.711 2.961 . 0 0 "[ . 1 . 2]" 1
313 1 53 SER H 1 53 SER QB 2.880 . 3.480 2.609 2.366 3.014 . 0 0 "[ . 1 . 2]" 1
314 1 53 SER HA 1 53 SER QB 2.310 . 2.910 2.214 2.124 2.377 . 0 0 "[ . 1 . 2]" 1
315 1 53 SER HA 1 54 ALA H 3.480 . 4.080 3.196 2.943 3.376 . 0 0 "[ . 1 . 2]" 1
316 1 54 ALA H 1 54 ALA HA 2.400 . 3.000 2.134 1.996 2.215 . 0 0 "[ . 1 . 2]" 1
317 1 54 ALA H 1 55 GLY H 2.740 . 3.340 2.891 2.629 3.368 0.028 17 0 "[ . 1 . 2]" 1
318 1 54 ALA HA 1 55 GLY H 2.800 . 3.400 2.908 2.575 3.262 . 0 0 "[ . 1 . 2]" 1
319 1 54 ALA HA 1 56 GLY H 3.640 . 4.240 3.325 2.573 3.806 . 0 0 "[ . 1 . 2]" 1
320 1 54 ALA HA 1 57 LEU H 3.700 . 4.300 3.506 2.915 4.394 0.094 13 0 "[ . 1 . 2]" 1
321 1 54 ALA MB 1 55 GLY H 5.400 . 6.000 3.596 3.074 3.775 . 0 0 "[ . 1 . 2]" 1
322 1 54 ALA MB 1 57 LEU H 6.520 . 7.120 3.816 3.074 4.740 . 0 0 "[ . 1 . 2]" 1
323 1 55 GLY H 1 56 GLY H 2.430 . 3.030 2.518 2.318 2.809 . 0 0 "[ . 1 . 2]" 1
324 1 55 GLY H 1 57 LEU H 4.070 . 4.670 4.091 3.772 4.772 0.102 11 0 "[ . 1 . 2]" 1
325 1 55 GLY QA 1 56 GLY H 3.030 . 3.630 2.771 2.547 2.869 . 0 0 "[ . 1 . 2]" 1
326 1 56 GLY H 1 57 LEU H 2.520 . 3.120 2.628 2.137 3.013 . 0 0 "[ . 1 . 2]" 1
327 1 56 GLY QA 1 57 LEU H 2.850 . 3.450 2.862 2.714 2.938 . 0 0 "[ . 1 . 2]" 1
328 1 56 GLY HA2 1 57 LEU H 3.270 . 3.870 3.220 2.832 3.442 . 0 0 "[ . 1 . 2]" 1
329 1 56 GLY HA3 1 57 LEU H 3.270 . 3.870 3.243 3.009 3.507 . 0 0 "[ . 1 . 2]" 1
330 1 57 LEU H 1 57 LEU HA 2.800 . 3.400 2.851 2.796 2.908 . 0 0 "[ . 1 . 2]" 1
331 1 57 LEU H 1 57 LEU HG 2.460 . 3.060 2.703 2.312 3.243 0.183 1 0 "[ . 1 . 2]" 1
332 1 57 LEU H 1 58 PHE H 4.010 . 4.610 2.739 1.906 4.437 . 0 0 "[ . 1 . 2]" 1
333 1 57 LEU HA 1 57 LEU HB2 2.800 . 3.400 2.876 2.430 2.982 . 0 0 "[ . 1 . 2]" 1
334 1 57 LEU HA 1 57 LEU MD2 3.420 . 4.020 2.439 2.185 3.990 . 0 0 "[ . 1 . 2]" 1
335 1 57 LEU HA 1 58 PHE H 2.550 . 3.150 3.116 2.188 3.476 0.326 1 0 "[ . 1 . 2]" 1
336 1 57 LEU HA 1 59 GLY H 3.520 . 4.120 3.599 2.349 4.370 0.250 1 0 "[ . 1 . 2]" 1
337 1 57 LEU HA 1 60 GLY H 4.480 . 5.080 2.970 2.068 4.792 . 0 0 "[ . 1 . 2]" 1
338 1 57 LEU HB2 1 57 LEU MD1 3.420 . 4.020 2.287 2.170 2.477 . 0 0 "[ . 1 . 2]" 1
339 1 57 LEU HB2 1 58 PHE H 3.050 . 3.650 3.159 2.148 4.230 0.580 2 1 "[ + . 1 . 2]" 1
340 1 57 LEU HB2 1 59 GLY H 3.920 . 4.520 4.438 2.412 5.007 0.487 13 0 "[ . 1 . 2]" 1
341 1 57 LEU HB3 1 58 PHE H 4.010 . 4.610 3.684 2.061 4.430 . 0 0 "[ . 1 . 2]" 1
342 1 57 LEU HB3 1 60 GLY H 4.660 . 5.260 4.177 2.643 5.196 . 0 0 "[ . 1 . 2]" 1
343 1 58 PHE H 1 58 PHE HA 2.930 . 3.530 2.822 2.717 2.892 . 0 0 "[ . 1 . 2]" 1
344 1 58 PHE HA 1 59 GLY H 3.300 . 3.900 3.424 3.302 3.550 . 0 0 "[ . 1 . 2]" 1
345 1 58 PHE HA 1 60 GLY H 3.520 . 4.120 3.675 3.268 3.966 . 0 0 "[ . 1 . 2]" 1
346 1 58 PHE HA 1 61 ILE H 3.580 . 4.180 3.628 2.682 4.322 0.142 13 0 "[ . 1 . 2]" 1
347 1 58 PHE QD 1 59 GLY H 7.290 . 7.890 4.217 3.018 4.631 . 0 0 "[ . 1 . 2]" 1
348 1 58 PHE QE 1 110 LEU MD1 7.010 . 7.610 4.742 2.380 6.943 . 0 0 "[ . 1 . 2]" 1
349 1 58 PHE QE 1 110 LEU MD2 7.010 . 7.610 4.163 2.301 7.175 . 0 0 "[ . 1 . 2]" 1
350 1 58 PHE QE 1 110 LEU HG 5.990 . 6.590 5.681 4.274 6.800 0.210 12 0 "[ . 1 . 2]" 1
351 1 58 PHE HZ 1 111 LYS QE 4.620 . 5.220 4.160 2.593 5.553 0.333 7 0 "[ . 1 . 2]" 1
352 1 59 GLY H 1 59 GLY HA2 2.710 . 3.310 2.800 2.723 2.902 . 0 0 "[ . 1 . 2]" 1
353 1 59 GLY H 1 59 GLY HA3 2.400 . 3.000 2.276 2.204 2.369 . 0 0 "[ . 1 . 2]" 1
354 1 59 GLY H 1 60 GLY H 2.650 . 3.250 2.500 1.955 2.853 . 0 0 "[ . 1 . 2]" 1
355 1 59 GLY HA3 1 60 GLY H 3.110 . 3.710 2.995 2.852 3.147 . 0 0 "[ . 1 . 2]" 1
356 1 60 GLY H 1 61 ILE H 2.400 . 3.000 2.621 2.415 2.916 . 0 0 "[ . 1 . 2]" 1
357 1 60 GLY QA 1 63 ASP HB2 3.050 . 3.650 2.970 2.479 3.487 . 0 0 "[ . 1 . 2]" 1
358 1 60 GLY HA2 1 63 ASP H 4.480 . 5.080 3.205 2.621 3.740 . 0 0 "[ . 1 . 2]" 1
359 1 60 GLY HA3 1 63 ASP H 4.480 . 5.080 4.367 3.803 4.796 . 0 0 "[ . 1 . 2]" 1
360 1 61 ILE H 1 61 ILE HA 2.800 . 3.400 2.814 2.690 2.897 . 0 0 "[ . 1 . 2]" 1
361 1 61 ILE H 1 61 ILE HB 2.430 . 3.030 2.504 2.198 2.792 . 0 0 "[ . 1 . 2]" 1
362 1 61 ILE H 1 61 ILE MD 4.130 . 4.730 3.559 3.247 3.894 . 0 0 "[ . 1 . 2]" 1
363 1 61 ILE H 1 61 ILE HG12 3.240 . 3.840 3.336 2.135 3.768 . 0 0 "[ . 1 . 2]" 1
364 1 61 ILE H 1 61 ILE HG13 3.240 . 3.840 2.393 1.972 3.593 . 0 0 "[ . 1 . 2]" 1
365 1 61 ILE H 1 61 ILE MG 4.470 . 5.070 3.797 3.698 3.930 . 0 0 "[ . 1 . 2]" 1
366 1 61 ILE H 1 62 LEU H 2.830 . 3.430 2.479 2.080 2.812 . 0 0 "[ . 1 . 2]" 1
367 1 61 ILE H 1 63 ASP H 4.070 . 4.670 3.818 3.589 4.141 . 0 0 "[ . 1 . 2]" 1
368 1 61 ILE HA 1 63 ASP H 4.140 . 4.740 4.031 3.749 4.448 . 0 0 "[ . 1 . 2]" 1
369 1 61 ILE HA 1 64 GLN H 3.890 . 4.490 3.872 3.142 4.639 0.149 7 0 "[ . 1 . 2]" 1
370 1 61 ILE HA 1 64 GLN QE 4.790 . 5.390 3.261 2.213 5.143 . 0 0 "[ . 1 . 2]" 1
371 1 61 ILE HB 1 62 LEU H 2.900 . 3.500 2.730 2.447 2.930 . 0 0 "[ . 1 . 2]" 1
372 1 61 ILE HB 1 63 ASP H 4.510 . 5.110 4.891 4.600 5.165 0.055 7 0 "[ . 1 . 2]" 1
373 1 61 ILE MD 1 64 GLN QE 5.570 . 6.170 5.021 2.670 6.919 0.749 15 1 "[ . 1 + 2]" 1
374 1 61 ILE MD 1 145 TYR QD 7.530 . 8.130 7.964 5.719 8.562 0.432 19 0 "[ . 1 . 2]" 1
375 1 61 ILE MD 1 145 TYR QE 6.950 . 7.550 6.541 4.618 8.003 0.453 15 0 "[ . 1 . 2]" 1
376 1 61 ILE MG 1 64 GLN H 6.520 . 7.120 4.701 4.399 5.114 . 0 0 "[ . 1 . 2]" 1
377 1 61 ILE MG 1 64 GLN QE 6.290 . 6.890 3.977 1.967 5.942 . 0 0 "[ . 1 . 2]" 1
378 1 62 LEU H 1 62 LEU HA 2.860 . 3.460 2.777 2.662 2.847 . 0 0 "[ . 1 . 2]" 1
379 1 62 LEU H 1 62 LEU HG 3.550 . 4.150 3.552 2.239 4.173 0.023 19 0 "[ . 1 . 2]" 1
380 1 62 LEU H 1 63 ASP H 2.400 . 3.000 2.540 2.304 2.798 . 0 0 "[ . 1 . 2]" 1
381 1 62 LEU HA 1 62 LEU QD 3.410 . 4.010 2.623 2.128 3.061 . 0 0 "[ . 1 . 2]" 1
382 1 62 LEU HA 1 62 LEU HG 2.460 . 3.060 2.652 2.217 3.165 0.105 16 0 "[ . 1 . 2]" 1
383 1 62 LEU HB2 1 62 LEU HG 2.520 . 3.120 2.763 2.429 2.915 . 0 0 "[ . 1 . 2]" 1
384 1 62 LEU HB2 1 63 ASP H 3.050 . 3.650 3.036 2.700 3.610 . 0 0 "[ . 1 . 2]" 1
385 1 62 LEU HB3 1 63 ASP H 3.330 . 3.930 3.662 3.246 3.895 . 0 0 "[ . 1 . 2]" 1
386 1 63 ASP H 1 63 ASP HA 2.930 . 3.530 2.781 2.673 2.915 . 0 0 "[ . 1 . 2]" 1
387 1 63 ASP H 1 63 ASP HB2 2.400 . 3.000 2.425 2.041 2.733 . 0 0 "[ . 1 . 2]" 1
388 1 63 ASP H 1 63 ASP HB3 2.400 . 3.000 2.572 2.195 2.790 . 0 0 "[ . 1 . 2]" 1
389 1 63 ASP H 1 64 GLN H 3.020 . 3.620 2.626 2.316 3.017 . 0 0 "[ . 1 . 2]" 1
390 1 63 ASP HA 1 64 GLN H 3.330 . 3.930 3.355 2.903 3.470 . 0 0 "[ . 1 . 2]" 1
391 1 63 ASP HB3 1 64 GLN H 3.450 . 4.050 3.077 2.541 3.943 . 0 0 "[ . 1 . 2]" 1
392 1 64 GLN H 1 65 GLN H 3.670 . 4.270 2.867 2.327 3.871 . 0 0 "[ . 1 . 2]" 1
393 1 64 GLN HA 1 65 GLN H 2.400 . 3.000 2.917 2.347 3.203 0.203 5 0 "[ . 1 . 2]" 1
394 1 65 GLN H 1 65 GLN HA 2.830 . 3.430 2.888 2.825 2.975 . 0 0 "[ . 1 . 2]" 1
395 1 65 GLN H 1 65 GLN QB 3.060 . 3.660 2.707 2.378 3.342 . 0 0 "[ . 1 . 2]" 1
396 1 65 GLN H 1 66 SER H 3.480 . 4.080 2.784 2.237 3.576 . 0 0 "[ . 1 . 2]" 1
397 1 65 GLN HA 1 66 SER H 2.400 . 3.000 2.629 2.330 2.882 . 0 0 "[ . 1 . 2]" 1
398 1 66 SER H 1 66 SER HA 2.900 . 3.500 2.863 2.796 2.947 . 0 0 "[ . 1 . 2]" 1
399 1 66 SER H 1 66 SER QB 2.980 . 3.580 2.689 2.242 3.252 . 0 0 "[ . 1 . 2]" 1
400 1 66 SER H 1 67 GLU H 4.510 . 5.110 4.416 4.183 4.620 . 0 0 "[ . 1 . 2]" 1
401 1 66 SER H 1 69 ARG H 3.640 . 4.240 3.721 3.149 4.275 0.035 19 0 "[ . 1 . 2]" 1
402 1 66 SER H 1 69 ARG HB2 3.020 . 3.620 2.530 1.975 3.038 . 0 0 "[ . 1 . 2]" 1
403 1 66 SER H 1 69 ARG HB3 3.050 . 3.650 3.665 3.334 4.086 0.436 5 0 "[ . 1 . 2]" 1
404 1 66 SER H 1 69 ARG QG 4.910 . 5.510 4.159 3.103 4.811 . 0 0 "[ . 1 . 2]" 1
405 1 66 SER HA 1 66 SER QB 2.470 . 3.070 2.303 2.113 2.474 . 0 0 "[ . 1 . 2]" 1
406 1 66 SER HA 1 67 GLU H 2.740 . 3.340 2.530 2.367 2.706 . 0 0 "[ . 1 . 2]" 1
407 1 66 SER QB 1 69 ARG H 3.610 . 4.210 3.459 2.156 4.286 0.076 15 0 "[ . 1 . 2]" 1
408 1 67 GLU H 1 67 GLU HA 2.860 . 3.460 2.761 2.636 2.878 . 0 0 "[ . 1 . 2]" 1
409 1 67 GLU H 1 67 GLU HB2 3.110 . 3.710 2.369 2.047 2.646 . 0 0 "[ . 1 . 2]" 1
410 1 67 GLU H 1 67 GLU HB3 3.110 . 3.710 2.934 2.423 3.558 . 0 0 "[ . 1 . 2]" 1
411 1 67 GLU H 1 67 GLU QG 4.680 . 5.280 3.509 2.237 4.127 . 0 0 "[ . 1 . 2]" 1
412 1 67 GLU H 1 68 ASN H 2.960 . 3.560 2.587 2.225 3.209 . 0 0 "[ . 1 . 2]" 1
413 1 67 GLU QB 1 68 ASN H 2.840 . 3.440 2.880 2.656 3.103 . 0 0 "[ . 1 . 2]" 1
414 1 67 GLU HB2 1 68 ASN H 3.450 . 4.050 3.580 2.800 4.097 0.047 14 0 "[ . 1 . 2]" 1
415 1 67 GLU HB3 1 68 ASN H 3.450 . 4.050 3.242 2.711 3.906 . 0 0 "[ . 1 . 2]" 1
416 1 68 ASN H 1 68 ASN HA 2.900 . 3.500 2.843 2.770 2.921 . 0 0 "[ . 1 . 2]" 1
417 1 68 ASN H 1 68 ASN HB2 3.700 . 4.300 2.610 2.152 3.760 . 0 0 "[ . 1 . 2]" 1
418 1 68 ASN H 1 68 ASN QB 3.050 . 3.650 2.455 2.127 3.088 . 0 0 "[ . 1 . 2]" 1
419 1 68 ASN H 1 68 ASN HB3 3.700 . 4.300 3.423 2.676 3.680 . 0 0 "[ . 1 . 2]" 1
420 1 68 ASN H 1 69 ARG H 2.400 . 3.000 2.716 2.473 3.003 0.003 10 0 "[ . 1 . 2]" 1
421 1 68 ASN HA 1 69 ARG H 2.860 . 3.460 3.029 2.704 3.347 . 0 0 "[ . 1 . 2]" 1
422 1 68 ASN HA 1 70 TRP H 3.670 . 4.270 4.402 3.604 4.928 0.658 7 2 "[ . + 1 - . 2]" 1
423 1 68 ASN QB 1 69 ARG H 4.030 . 4.630 3.612 2.872 3.986 . 0 0 "[ . 1 . 2]" 1
424 1 69 ARG H 1 69 ARG HA 2.680 . 3.280 2.788 2.437 2.865 . 0 0 "[ . 1 . 2]" 1
425 1 69 ARG H 1 69 ARG HB2 2.460 . 3.060 2.605 2.249 2.850 . 0 0 "[ . 1 . 2]" 1
426 1 69 ARG H 1 69 ARG HB3 2.550 . 3.150 2.575 2.325 2.889 . 0 0 "[ . 1 . 2]" 1
427 1 69 ARG H 1 69 ARG QG 4.410 . 5.010 3.988 3.846 4.135 . 0 0 "[ . 1 . 2]" 1
428 1 69 ARG H 1 70 TRP H 2.770 . 3.370 3.832 3.496 4.000 0.630 19 10 "[* -*** * *** +2]" 1
429 1 69 ARG HA 1 70 TRP HD1 4.110 . 4.710 3.815 2.964 4.922 0.212 3 0 "[ . 1 . 2]" 1
430 1 69 ARG HB2 1 70 TRP H 3.670 . 4.270 4.224 3.949 4.429 0.159 14 0 "[ . 1 . 2]" 1
431 1 69 ARG HB2 1 70 TRP HD1 4.940 . 5.540 5.689 5.118 6.347 0.807 3 2 "[ + . 1 - . 2]" 1
432 1 69 ARG HB3 1 70 TRP H 3.170 . 3.770 4.210 4.118 4.294 0.524 19 1 "[ . 1 . +2]" 1
433 1 70 TRP H 1 70 TRP HA 2.930 . 3.530 2.653 2.407 2.823 . 0 0 "[ . 1 . 2]" 1
434 1 70 TRP H 1 70 TRP HB2 3.670 . 4.270 2.928 2.240 3.532 . 0 0 "[ . 1 . 2]" 1
435 1 70 TRP H 1 70 TRP QB 3.020 . 3.620 2.472 2.214 2.754 . 0 0 "[ . 1 . 2]" 1
436 1 70 TRP H 1 70 TRP HB3 3.670 . 4.270 3.057 2.357 3.538 . 0 0 "[ . 1 . 2]" 1
437 1 70 TRP H 1 70 TRP HD1 3.700 . 4.300 2.775 1.762 3.926 . 0 0 "[ . 1 . 2]" 1
438 1 70 TRP H 1 71 PHE H 4.570 . 5.170 4.616 4.353 4.782 . 0 0 "[ . 1 . 2]" 1
439 1 70 TRP HA 1 71 PHE H 2.400 . 3.000 2.323 2.032 2.610 . 0 0 "[ . 1 . 2]" 1
440 1 70 TRP QB 1 71 PHE H 4.330 . 4.930 2.679 1.995 2.955 . 0 0 "[ . 1 . 2]" 1
441 1 70 TRP HD1 1 71 PHE H 5.380 . 5.980 5.027 4.050 5.987 0.007 20 0 "[ . 1 . 2]" 1
442 1 70 TRP HD1 1 164 VAL QG 4.560 . 5.160 4.095 2.727 5.704 0.544 13 1 "[ . 1 + . 2]" 1
443 1 70 TRP HE1 1 164 VAL QG 6.420 . 7.020 3.989 2.657 5.910 . 0 0 "[ . 1 . 2]" 1
444 1 71 PHE H 1 71 PHE HA 2.770 . 3.370 2.756 2.665 2.856 . 0 0 "[ . 1 . 2]" 1
445 1 71 PHE H 1 165 ILE MG 4.780 . 5.380 5.175 4.490 5.664 0.284 12 0 "[ . 1 . 2]" 1
446 1 71 PHE HA 1 72 LYS H 2.400 . 3.000 2.222 1.977 2.396 . 0 0 "[ . 1 . 2]" 1
447 1 71 PHE QD 1 72 LYS H 6.420 . 7.020 3.862 3.453 4.388 . 0 0 "[ . 1 . 2]" 1
448 1 71 PHE QE 1 73 HIS QB 4.520 . 5.120 3.758 2.427 5.480 0.360 17 0 "[ . 1 . 2]" 1
449 1 71 PHE QE 1 165 ILE MD 5.550 . 6.150 4.014 2.374 6.764 0.614 1 1 "[+ . 1 . 2]" 1
450 1 71 PHE QE 1 165 ILE MG 6.140 . 6.740 3.264 2.417 4.910 . 0 0 "[ . 1 . 2]" 1
451 1 72 LYS H 1 72 LYS HA 2.830 . 3.430 2.867 2.795 2.961 . 0 0 "[ . 1 . 2]" 1
452 1 72 LYS H 1 72 LYS HB2 2.400 . 3.000 2.593 2.124 3.618 0.618 9 1 "[ . +1 . 2]" 1
453 1 72 LYS HA 1 72 LYS HB2 2.900 . 3.500 2.774 2.327 2.949 . 0 0 "[ . 1 . 2]" 1
454 1 72 LYS HA 1 73 HIS H 2.710 . 3.310 2.328 2.145 2.518 . 0 0 "[ . 1 . 2]" 1
455 1 72 LYS HA 1 166 ASP H 4.600 . 5.200 3.861 3.052 4.573 . 0 0 "[ . 1 . 2]" 1
456 1 72 LYS HB2 1 73 HIS H 3.550 . 4.150 3.930 2.918 4.286 0.136 1 0 "[ . 1 . 2]" 1
457 1 73 HIS H 1 73 HIS QB 2.820 . 3.420 2.611 2.342 2.870 . 0 0 "[ . 1 . 2]" 1
458 1 73 HIS H 1 73 HIS HD2 5.500 . 6.100 5.253 4.124 5.642 . 0 0 "[ . 1 . 2]" 1
459 1 73 HIS H 1 167 VAL HA 3.050 . 3.650 2.417 1.759 2.945 . 0 0 "[ . 1 . 2]" 1
460 1 73 HIS H 1 168 ASP H 3.700 . 4.300 3.566 2.992 4.196 . 0 0 "[ . 1 . 2]" 1
461 1 73 HIS HA 1 73 HIS QB 2.310 . 2.910 2.373 2.248 2.483 . 0 0 "[ . 1 . 2]" 1
462 1 74 ILE H 1 74 ILE HB 3.760 . 4.360 2.646 2.396 3.297 . 0 0 "[ . 1 . 2]" 1
463 1 74 ILE HA 1 74 ILE MD 4.160 . 4.760 3.827 3.520 3.981 . 0 0 "[ . 1 . 2]" 1
464 1 74 ILE HA 1 168 ASP H 3.610 . 4.210 2.911 2.521 3.170 . 0 0 "[ . 1 . 2]" 1
465 1 74 ILE QG 1 75 MET H 4.230 . 4.830 3.881 2.359 4.411 . 0 0 "[ . 1 . 2]" 1
466 1 74 ILE QG 1 168 ASP H 4.060 . 4.660 4.149 3.690 4.530 . 0 0 "[ . 1 . 2]" 1
467 1 74 ILE MG 1 75 MET H 3.850 . 4.450 2.981 2.516 3.975 . 0 0 "[ . 1 . 2]" 1
468 1 75 MET H 1 75 MET HA 2.860 . 3.460 2.875 2.789 2.954 . 0 0 "[ . 1 . 2]" 1
469 1 75 MET H 1 75 MET HB2 3.050 . 3.650 2.779 2.301 3.181 . 0 0 "[ . 1 . 2]" 1
470 1 75 MET H 1 75 MET QB 2.660 . 3.260 2.612 2.264 2.744 . 0 0 "[ . 1 . 2]" 1
471 1 75 MET H 1 75 MET HB3 3.050 . 3.650 3.421 2.803 3.792 0.142 15 0 "[ . 1 . 2]" 1
472 1 75 MET H 1 167 VAL HB 4.170 . 4.770 4.738 3.899 5.074 0.304 8 0 "[ . 1 . 2]" 1
473 1 75 MET H 1 168 ASP H 3.300 . 3.900 3.771 3.415 4.088 0.188 12 0 "[ . 1 . 2]" 1
474 1 75 MET H 1 168 ASP QB 4.440 . 5.040 3.832 3.486 4.094 . 0 0 "[ . 1 . 2]" 1
475 1 75 MET H 1 169 LEU HA 2.960 . 3.560 3.000 2.735 3.187 . 0 0 "[ . 1 . 2]" 1
476 1 75 MET H 1 169 LEU QD 4.260 . 4.860 3.315 2.427 3.900 . 0 0 "[ . 1 . 2]" 1
477 1 75 MET H 1 170 VAL H 3.480 . 4.080 3.742 3.331 4.107 0.027 12 0 "[ . 1 . 2]" 1
478 1 75 MET HA 1 76 THR H 2.520 . 3.120 2.369 2.217 2.728 . 0 0 "[ . 1 . 2]" 1
479 1 75 MET QB 1 80 HIS HE1 3.560 . 4.160 3.580 2.097 4.546 0.386 20 0 "[ . 1 . 2]" 1
480 1 75 MET ME 1 80 HIS HD2 3.670 . 4.270 3.944 2.838 4.578 0.308 18 0 "[ . 1 . 2]" 1
481 1 75 MET ME 1 80 HIS HE1 4.410 . 5.010 3.397 2.642 5.086 0.076 9 0 "[ . 1 . 2]" 1
482 1 75 MET ME 1 82 PHE QD 6.170 . 6.770 5.167 3.696 6.414 . 0 0 "[ . 1 . 2]" 1
483 1 76 THR H 1 76 THR HB 3.610 . 4.210 3.565 3.368 3.767 . 0 0 "[ . 1 . 2]" 1
484 1 76 THR HA 1 76 THR HB 2.400 . 3.000 2.510 2.253 2.648 . 0 0 "[ . 1 . 2]" 1
485 1 76 THR HA 1 76 THR MG 3.420 . 4.020 2.381 2.193 2.607 . 0 0 "[ . 1 . 2]" 1
486 1 76 THR HA 1 77 GLY H 2.590 . 3.190 2.513 2.270 2.674 . 0 0 "[ . 1 . 2]" 1
487 1 76 THR HA 1 170 VAL H 2.680 . 3.280 2.792 2.324 3.408 0.128 19 0 "[ . 1 . 2]" 1
488 1 76 THR HB 1 77 GLY H 2.550 . 3.150 2.498 2.170 2.863 . 0 0 "[ . 1 . 2]" 1
489 1 76 THR MG 1 77 GLY H 5.280 . 5.880 3.703 3.417 4.043 . 0 0 "[ . 1 . 2]" 1
490 1 76 THR MG 1 170 VAL QG 4.410 . 5.010 2.805 1.915 4.268 . 0 0 "[ . 1 . 2]" 1
491 1 77 GLY H 1 77 GLY QA 2.540 . 3.140 2.185 2.138 2.253 . 0 0 "[ . 1 . 2]" 1
492 1 77 GLY H 1 169 LEU QD 5.370 . 5.970 4.960 3.855 6.194 0.224 1 0 "[ . 1 . 2]" 1
493 1 77 GLY QA 1 78 GLY H 2.900 . 3.500 2.241 2.086 2.362 . 0 0 "[ . 1 . 2]" 1
494 1 77 GLY HA2 1 78 GLY H 3.520 . 4.120 2.532 2.191 2.859 . 0 0 "[ . 1 . 2]" 1
495 1 77 GLY HA3 1 78 GLY H 3.520 . 4.120 2.549 2.218 2.884 . 0 0 "[ . 1 . 2]" 1
496 1 78 GLY H 1 138 ILE H 3.920 . 4.520 3.297 2.994 3.603 . 0 0 "[ . 1 . 2]" 1
497 1 78 GLY H 1 138 ILE HB 4.350 . 4.950 3.079 2.289 3.895 . 0 0 "[ . 1 . 2]" 1
498 1 78 GLY QA 1 79 GLU H 2.320 . 2.920 2.342 2.236 2.431 . 0 0 "[ . 1 . 2]" 1
499 1 78 GLY QA 1 137 TYR QE 4.250 . 4.850 2.592 2.261 3.724 . 0 0 "[ . 1 . 2]" 1
500 1 78 GLY HA2 1 79 GLU H 2.680 . 3.280 2.646 2.430 3.044 . 0 0 "[ . 1 . 2]" 1
501 1 78 GLY HA2 1 137 TYR QE 5.120 . 5.720 2.627 2.280 3.861 . 0 0 "[ . 1 . 2]" 1
502 1 78 GLY HA3 1 79 GLU H 2.680 . 3.280 2.638 2.458 2.850 . 0 0 "[ . 1 . 2]" 1
503 1 78 GLY HA3 1 137 TYR QE 5.120 . 5.720 4.092 3.671 4.955 . 0 0 "[ . 1 . 2]" 1
504 1 79 GLU H 1 79 GLU HA 2.900 . 3.500 2.760 2.638 2.857 . 0 0 "[ . 1 . 2]" 1
505 1 79 GLU H 1 79 GLU HB2 2.400 . 3.000 2.722 1.990 3.672 0.672 1 5 "[+* . * 1 * - 2]" 1
506 1 79 GLU H 1 79 GLU QG 4.060 . 4.660 2.760 2.158 3.957 . 0 0 "[ . 1 . 2]" 1
507 1 79 GLU H 1 137 TYR QD 7.100 . 7.700 3.246 2.870 4.023 . 0 0 "[ . 1 . 2]" 1
508 1 79 GLU HA 1 80 HIS H 2.400 . 3.000 2.270 2.055 2.437 . 0 0 "[ . 1 . 2]" 1
509 1 79 GLU HA 1 137 TYR HA 3.080 . 3.680 2.163 1.907 2.744 . 0 0 "[ . 1 . 2]" 1
510 1 79 GLU HA 1 138 ILE H 3.050 . 3.650 3.038 2.407 3.467 . 0 0 "[ . 1 . 2]" 1
511 1 79 GLU HB2 1 80 HIS H 3.730 . 4.330 3.728 2.496 4.373 0.043 10 0 "[ . 1 . 2]" 1
512 1 79 GLU QG 1 80 HIS H 5.320 . 5.920 3.664 2.402 4.437 . 0 0 "[ . 1 . 2]" 1
513 1 79 GLU QG 1 137 TYR QE 5.370 . 5.970 4.485 3.449 5.417 . 0 0 "[ . 1 . 2]" 1
514 1 80 HIS H 1 80 HIS HB2 3.890 . 4.490 2.601 2.281 2.843 . 0 0 "[ . 1 . 2]" 1
515 1 80 HIS H 1 80 HIS HB3 3.890 . 4.490 3.675 3.456 3.827 . 0 0 "[ . 1 . 2]" 1
516 1 80 HIS H 1 80 HIS HD2 5.340 . 5.940 3.554 3.065 4.264 . 0 0 "[ . 1 . 2]" 1
517 1 80 HIS H 1 136 ILE H 3.700 . 4.300 2.960 2.477 3.821 . 0 0 "[ . 1 . 2]" 1
518 1 80 HIS H 1 137 TYR HA 3.640 . 4.240 3.458 2.745 3.905 . 0 0 "[ . 1 . 2]" 1
519 1 80 HIS HA 1 81 THR H 2.400 . 3.000 2.306 2.180 2.438 . 0 0 "[ . 1 . 2]" 1
520 1 80 HIS QB 1 81 THR H 2.720 . 3.320 2.811 2.493 3.193 . 0 0 "[ . 1 . 2]" 1
521 1 80 HIS HB2 1 80 HIS HD2 3.170 . 3.770 2.821 2.603 3.235 . 0 0 "[ . 1 . 2]" 1
522 1 80 HIS HB3 1 80 HIS HD2 3.170 . 3.770 3.730 3.564 3.863 0.093 18 0 "[ . 1 . 2]" 1
523 1 80 HIS HD2 1 81 THR H 5.500 . 6.100 5.863 5.307 6.208 0.108 3 0 "[ . 1 . 2]" 1
524 1 80 HIS HD2 1 138 ILE HB 3.390 . 3.990 3.161 2.245 3.884 . 0 0 "[ . 1 . 2]" 1
525 1 80 HIS HD2 1 138 ILE MD 4.070 . 4.670 3.752 2.282 4.819 0.149 17 0 "[ . 1 . 2]" 1
526 1 80 HIS HD2 1 138 ILE QG 2.810 . 3.410 2.567 1.925 3.235 . 0 0 "[ . 1 . 2]" 1
527 1 80 HIS HD2 1 138 ILE MG 4.350 . 4.950 4.181 3.170 4.665 . 0 0 "[ . 1 . 2]" 1
528 1 81 THR H 1 81 THR HB 2.740 . 3.340 2.679 2.475 2.889 . 0 0 "[ . 1 . 2]" 1
529 1 81 THR HA 1 81 THR MG 3.480 . 4.080 2.350 2.241 2.469 . 0 0 "[ . 1 . 2]" 1
530 1 81 THR HA 1 82 PHE H 2.400 . 3.000 2.232 2.118 2.454 . 0 0 "[ . 1 . 2]" 1
531 1 81 THR HA 1 82 PHE QD 4.530 . 5.130 3.665 2.838 4.282 . 0 0 "[ . 1 . 2]" 1
532 1 81 THR HA 1 135 HIS HA 2.400 . 3.000 2.398 2.146 2.566 . 0 0 "[ . 1 . 2]" 1
533 1 81 THR HA 1 136 ILE H 3.580 . 4.180 3.519 3.121 3.824 . 0 0 "[ . 1 . 2]" 1
534 1 81 THR HB 1 82 PHE H 4.070 . 4.670 4.015 3.376 4.450 . 0 0 "[ . 1 . 2]" 1
535 1 81 THR MG 1 82 PHE H 4.130 . 4.730 2.772 1.921 3.532 . 0 0 "[ . 1 . 2]" 1
536 1 81 THR MG 1 133 SER QB 3.400 . 4.000 3.701 3.104 4.138 0.138 10 0 "[ . 1 . 2]" 1
537 1 81 THR MG 1 135 HIS HD2 3.480 . 4.080 3.640 2.522 4.346 0.266 5 0 "[ . 1 . 2]" 1
538 1 81 THR MG 1 135 HIS HE1 3.420 . 4.020 3.307 2.665 4.433 0.413 12 0 "[ . 1 . 2]" 1
539 1 82 PHE H 1 82 PHE HA 2.830 . 3.430 2.903 2.740 3.014 . 0 0 "[ . 1 . 2]" 1
540 1 82 PHE H 1 82 PHE HB2 3.480 . 4.080 2.485 2.301 2.790 . 0 0 "[ . 1 . 2]" 1
541 1 82 PHE H 1 82 PHE QB 3.040 . 3.640 2.443 2.271 2.723 . 0 0 "[ . 1 . 2]" 1
542 1 82 PHE H 1 82 PHE HB3 3.480 . 4.080 3.614 3.485 3.795 . 0 0 "[ . 1 . 2]" 1
543 1 82 PHE H 1 134 HIS H 3.610 . 4.210 3.154 2.664 3.973 . 0 0 "[ . 1 . 2]" 1
544 1 82 PHE H 1 135 HIS HA 3.140 . 3.740 3.413 3.063 3.931 0.191 6 0 "[ . 1 . 2]" 1
545 1 82 PHE HA 1 83 THR H 2.400 . 3.000 2.256 2.049 2.432 . 0 0 "[ . 1 . 2]" 1
546 1 82 PHE QB 1 134 HIS H 5.340 . 5.940 3.516 3.057 3.973 . 0 0 "[ . 1 . 2]" 1
547 1 82 PHE HB2 1 83 THR H 4.170 . 4.770 4.174 3.768 4.448 . 0 0 "[ . 1 . 2]" 1
548 1 82 PHE HB3 1 83 THR H 4.170 . 4.770 3.347 2.871 4.209 . 0 0 "[ . 1 . 2]" 1
549 1 82 PHE QD 1 136 ILE H 7.630 . 8.230 3.490 2.522 4.457 . 0 0 "[ . 1 . 2]" 1
550 1 82 PHE QD 1 136 ILE HB 4.650 . 5.250 3.285 2.150 4.192 . 0 0 "[ . 1 . 2]" 1
551 1 82 PHE QD 1 136 ILE MD 8.030 . 8.630 3.606 2.165 4.685 . 0 0 "[ . 1 . 2]" 1
552 1 82 PHE QD 1 136 ILE QG 4.430 . 5.030 2.845 2.270 4.274 . 0 0 "[ . 1 . 2]" 1
553 1 82 PHE QD 1 136 ILE MG 5.830 . 6.430 4.512 3.502 5.317 . 0 0 "[ . 1 . 2]" 1
554 1 82 PHE QD 1 148 ILE MD 7.940 . 8.540 4.495 3.402 5.992 . 0 0 "[ . 1 . 2]" 1
555 1 82 PHE QD 1 148 ILE MG 5.550 . 6.150 5.014 4.010 6.346 0.196 8 0 "[ . 1 . 2]" 1
556 1 82 PHE QE 1 136 ILE MG 6.140 . 6.740 3.622 2.640 4.648 . 0 0 "[ . 1 . 2]" 1
557 1 82 PHE QE 1 148 ILE MD 7.070 . 7.670 3.227 2.120 4.742 . 0 0 "[ . 1 . 2]" 1
558 1 83 THR H 1 83 THR HB 2.710 . 3.310 2.814 2.647 3.191 . 0 0 "[ . 1 . 2]" 1
559 1 83 THR H 1 83 THR MG 4.530 . 5.130 3.870 2.811 4.029 . 0 0 "[ . 1 . 2]" 1
560 1 83 THR HA 1 83 THR MG 3.420 . 4.020 2.443 2.268 3.175 . 0 0 "[ . 1 . 2]" 1
561 1 83 THR HA 1 84 TRP H 2.400 . 3.000 2.152 1.898 2.377 . 0 0 "[ . 1 . 2]" 1
562 1 83 THR HA 1 84 TRP HD1 4.040 . 4.640 4.177 3.427 4.730 0.090 9 0 "[ . 1 . 2]" 1
563 1 83 THR HA 1 133 SER HA 2.710 . 3.310 2.543 2.201 2.954 . 0 0 "[ . 1 . 2]" 1
564 1 83 THR HA 1 134 HIS H 4.070 . 4.670 3.756 3.352 4.269 . 0 0 "[ . 1 . 2]" 1
565 1 83 THR MG 1 84 TRP H 3.850 . 4.450 2.854 2.346 3.512 . 0 0 "[ . 1 . 2]" 1
566 1 84 TRP H 1 84 TRP HB2 3.670 . 4.270 2.593 2.244 2.828 . 0 0 "[ . 1 . 2]" 1
567 1 84 TRP H 1 84 TRP HB3 3.670 . 4.270 3.655 3.388 3.842 . 0 0 "[ . 1 . 2]" 1
568 1 84 TRP H 1 84 TRP HD1 3.270 . 3.870 3.481 2.592 3.935 0.065 1 0 "[ . 1 . 2]" 1
569 1 84 TRP H 1 133 SER HA 3.360 . 3.960 3.518 2.362 3.982 0.022 11 0 "[ . 1 . 2]" 1
570 1 84 TRP HA 1 85 THR H 2.430 . 3.030 2.387 2.020 2.623 . 0 0 "[ . 1 . 2]" 1
571 1 84 TRP QB 1 85 THR H 2.890 . 3.490 2.789 2.426 3.308 . 0 0 "[ . 1 . 2]" 1
572 1 84 TRP HB2 1 85 THR H 3.700 . 4.300 3.791 3.399 4.196 . 0 0 "[ . 1 . 2]" 1
573 1 84 TRP HB3 1 85 THR H 3.700 . 4.300 2.879 2.477 3.462 . 0 0 "[ . 1 . 2]" 1
574 1 84 TRP HE1 1 150 ALA MB 6.520 . 7.120 5.305 3.424 7.175 0.055 18 0 "[ . 1 . 2]" 1
575 1 85 THR H 1 85 THR HA 2.930 . 3.530 2.873 2.774 2.976 . 0 0 "[ . 1 . 2]" 1
576 1 85 THR H 1 85 THR HB 3.550 . 4.150 3.460 3.114 3.848 . 0 0 "[ . 1 . 2]" 1
577 1 85 THR H 1 85 THR MG 3.820 . 4.420 2.728 2.151 3.328 . 0 0 "[ . 1 . 2]" 1
578 1 85 THR HA 1 85 THR HB 2.400 . 3.000 2.396 2.204 2.563 . 0 0 "[ . 1 . 2]" 1
579 1 85 THR HA 1 86 TYR H 2.520 . 3.120 2.261 1.996 2.408 . 0 0 "[ . 1 . 2]" 1
580 1 85 THR HB 1 86 TYR H 3.950 . 4.550 3.653 2.621 4.287 . 0 0 "[ . 1 . 2]" 1
581 1 85 THR MG 1 86 TYR H 5.120 . 5.720 3.784 3.491 4.330 . 0 0 "[ . 1 . 2]" 1
582 1 86 TYR H 1 86 TYR QB 2.620 . 3.220 2.475 2.238 2.829 . 0 0 "[ . 1 . 2]" 1
583 1 86 TYR H 1 132 LEU HG 5.000 . 5.600 5.563 5.075 5.819 0.219 17 0 "[ . 1 . 2]" 1
584 1 86 TYR HA 1 87 THR H 2.650 . 3.250 2.360 2.160 2.543 . 0 0 "[ . 1 . 2]" 1
585 1 86 TYR HA 1 88 ALA H 3.890 . 4.490 4.007 3.243 4.321 . 0 0 "[ . 1 . 2]" 1
586 1 86 TYR QB 1 87 THR H 3.370 . 3.970 2.928 2.489 3.521 . 0 0 "[ . 1 . 2]" 1
587 1 86 TYR QD 1 87 THR H 7.630 . 8.230 3.624 2.610 4.615 . 0 0 "[ . 1 . 2]" 1
588 1 87 THR H 1 87 THR HB 3.390 . 3.990 2.950 2.429 3.657 . 0 0 "[ . 1 . 2]" 1
589 1 87 THR H 1 88 ALA H 2.990 . 3.590 2.406 1.801 2.895 . 0 0 "[ . 1 . 2]" 1
590 1 87 THR HA 1 87 THR HB 2.400 . 3.000 2.412 2.188 2.645 . 0 0 "[ . 1 . 2]" 1
591 1 87 THR HA 1 87 THR MG 3.420 . 4.020 3.016 2.272 3.232 . 0 0 "[ . 1 . 2]" 1
592 1 87 THR MG 1 88 ALA H 6.520 . 7.120 3.070 2.200 4.386 . 0 0 "[ . 1 . 2]" 1
593 1 91 ASN H 1 91 ASN HA 2.710 . 3.310 2.822 2.707 2.929 . 0 0 "[ . 1 . 2]" 1
594 1 91 ASN H 1 91 ASN HB2 3.670 . 4.270 2.490 2.168 3.051 . 0 0 "[ . 1 . 2]" 1
595 1 91 ASN H 1 91 ASN QB 3.200 . 3.800 2.332 2.098 2.571 . 0 0 "[ . 1 . 2]" 1
596 1 91 ASN H 1 91 ASN HB3 3.670 . 4.270 3.142 2.250 3.699 . 0 0 "[ . 1 . 2]" 1
597 1 92 THR HA 1 92 THR MG 3.450 . 4.050 2.515 2.213 3.159 . 0 0 "[ . 1 . 2]" 1
598 1 92 THR HA 1 93 SER H 2.650 . 3.250 2.327 2.141 2.472 . 0 0 "[ . 1 . 2]" 1
599 1 92 THR HA 1 152 TRP HE1 5.500 . 6.100 4.599 2.209 6.071 . 0 0 "[ . 1 . 2]" 1
600 1 92 THR HA 1 154 VAL HA 2.550 . 3.150 2.500 2.039 2.902 . 0 0 "[ . 1 . 2]" 1
601 1 92 THR HA 1 155 ALA H 3.420 . 4.020 3.134 1.934 4.281 0.261 8 0 "[ . 1 . 2]" 1
602 1 92 THR HB 1 123 HIS HD2 3.790 . 4.390 3.582 2.386 4.568 0.178 18 0 "[ . 1 . 2]" 1
603 1 92 THR HB 1 152 TRP HE1 5.500 . 6.100 3.931 2.390 4.863 . 0 0 "[ . 1 . 2]" 1
604 1 92 THR MG 1 93 SER H 4.220 . 4.820 2.932 2.471 3.981 . 0 0 "[ . 1 . 2]" 1
605 1 92 THR MG 1 94 GLN H 4.780 . 5.380 3.008 2.175 4.808 . 0 0 "[ . 1 . 2]" 1
606 1 92 THR MG 1 123 HIS HD2 3.420 . 4.020 3.799 2.134 4.342 0.322 8 0 "[ . 1 . 2]" 1
607 1 92 THR MG 1 152 TRP HE1 4.290 . 4.890 2.596 2.149 3.954 . 0 0 "[ . 1 . 2]" 1
608 1 93 SER H 1 93 SER HB2 2.770 . 3.370 3.549 3.222 3.682 0.312 14 0 "[ . 1 . 2]" 1
609 1 93 SER H 1 94 GLN H 2.900 . 3.500 2.206 1.892 2.489 . 0 0 "[ . 1 . 2]" 1
610 1 93 SER H 1 154 VAL HA 3.550 . 4.150 2.987 2.339 4.047 . 0 0 "[ . 1 . 2]" 1
611 1 93 SER H 1 155 ALA H 3.790 . 4.390 3.378 2.915 4.004 . 0 0 "[ . 1 . 2]" 1
612 1 93 SER HA 1 93 SER HB2 2.430 . 3.030 2.508 2.338 2.730 . 0 0 "[ . 1 . 2]" 1
613 1 93 SER HA 1 93 SER HB3 2.770 . 3.370 2.342 2.227 2.420 . 0 0 "[ . 1 . 2]" 1
614 1 93 SER HB2 1 94 GLN H 3.890 . 4.490 3.487 2.954 3.969 . 0 0 "[ . 1 . 2]" 1
615 1 93 SER HB2 1 155 ALA MB 3.700 . 4.300 3.796 2.905 4.665 0.365 7 0 "[ . 1 . 2]" 1
616 1 94 GLN H 1 153 ASP H 3.700 . 4.300 3.445 3.119 4.002 . 0 0 "[ . 1 . 2]" 1
617 1 94 GLN HA 1 94 GLN HB2 2.800 . 3.400 2.440 2.270 2.650 . 0 0 "[ . 1 . 2]" 1
618 1 94 GLN HA 1 94 GLN QB 2.370 . 2.970 2.250 2.045 2.455 . 0 0 "[ . 1 . 2]" 1
619 1 94 GLN HA 1 94 GLN HB3 2.800 . 3.400 2.679 2.245 2.941 . 0 0 "[ . 1 . 2]" 1
620 1 94 GLN HA 1 95 TRP H 2.770 . 3.370 2.436 2.147 2.682 . 0 0 "[ . 1 . 2]" 1
621 1 94 GLN HA 1 122 PRO HA 2.400 . 3.000 2.283 2.013 2.723 . 0 0 "[ . 1 . 2]" 1
622 1 94 GLN HA 1 123 HIS H 2.900 . 3.500 2.802 2.376 3.306 . 0 0 "[ . 1 . 2]" 1
623 1 94 GLN QB 1 94 GLN QG 2.180 . 2.780 2.007 1.953 2.088 . 0 0 "[ . 1 . 2]" 1
624 1 94 GLN QB 1 95 TRP H 3.730 . 4.330 3.081 2.237 3.663 . 0 0 "[ . 1 . 2]" 1
625 1 94 GLN QG 1 95 TRP H 3.260 . 3.860 2.923 2.324 3.644 . 0 0 "[ . 1 . 2]" 1
626 1 94 GLN QG 1 96 HIS HD2 4.350 . 4.950 4.212 3.455 5.203 0.253 13 0 "[ . 1 . 2]" 1
627 1 94 GLN HG2 1 95 TRP H 3.920 . 4.520 3.457 2.439 4.685 0.165 11 0 "[ . 1 . 2]" 1
628 1 94 GLN HG3 1 95 TRP H 3.920 . 4.520 3.327 2.861 3.800 . 0 0 "[ . 1 . 2]" 1
629 1 95 TRP H 1 95 TRP QB 3.030 . 3.630 3.137 2.993 3.239 . 0 0 "[ . 1 . 2]" 1
630 1 95 TRP H 1 95 TRP HD1 3.450 . 4.050 3.396 2.151 4.305 0.255 8 0 "[ . 1 . 2]" 1
631 1 95 TRP H 1 121 VAL H 4.010 . 4.610 3.153 2.895 3.525 . 0 0 "[ . 1 . 2]" 1
632 1 95 TRP H 1 122 PRO HA 3.390 . 3.990 3.326 3.109 3.520 . 0 0 "[ . 1 . 2]" 1
633 1 95 TRP H 1 122 PRO QB 3.970 . 4.570 4.894 4.745 5.162 0.592 18 1 "[ . 1 . + 2]" 1
634 1 95 TRP HA 1 96 HIS H 2.400 . 3.000 2.372 2.187 2.560 . 0 0 "[ . 1 . 2]" 1
635 1 95 TRP HA 1 152 TRP HA 3.050 . 3.650 2.678 2.268 3.140 . 0 0 "[ . 1 . 2]" 1
636 1 95 TRP HA 1 153 ASP H 3.520 . 4.120 2.958 2.638 3.284 . 0 0 "[ . 1 . 2]" 1
637 1 95 TRP QB 1 96 HIS H 3.610 . 4.210 2.567 2.210 2.959 . 0 0 "[ . 1 . 2]" 1
638 1 95 TRP QB 1 152 TRP HD1 2.600 . 3.200 3.125 2.057 3.825 0.625 13 2 "[ - . 1 + . 2]" 1
639 1 95 TRP HD1 1 121 VAL H 5.500 . 6.100 4.383 3.216 5.713 . 0 0 "[ . 1 . 2]" 1
640 1 95 TRP HD1 1 132 LEU QD 4.740 . 5.340 5.110 3.150 5.868 0.528 9 2 "[ . +1 - 2]" 1
641 1 95 TRP HE1 1 121 VAL QG 6.420 . 7.020 2.683 2.344 3.040 . 0 0 "[ . 1 . 2]" 1
642 1 95 TRP HZ3 1 132 LEU QD 3.410 . 4.010 3.854 2.957 4.747 0.737 12 1 "[ . 1 + . 2]" 1
643 1 96 HIS H 1 96 HIS HB2 3.980 . 4.580 3.024 2.635 3.962 . 0 0 "[ . 1 . 2]" 1
644 1 96 HIS H 1 96 HIS HB3 2.930 . 3.530 3.728 3.345 3.914 0.384 11 0 "[ . 1 . 2]" 1
645 1 96 HIS H 1 96 HIS HD2 2.680 . 3.280 2.804 2.352 3.110 . 0 0 "[ . 1 . 2]" 1
646 1 96 HIS H 1 151 VAL H 2.930 . 3.530 2.923 2.734 3.206 . 0 0 "[ . 1 . 2]" 1
647 1 96 HIS H 1 151 VAL HB 3.860 . 4.460 3.493 3.071 4.080 . 0 0 "[ . 1 . 2]" 1
648 1 96 HIS H 1 151 VAL QG 6.360 . 6.960 3.962 3.677 4.190 . 0 0 "[ . 1 . 2]" 1
649 1 96 HIS H 1 152 TRP HA 4.480 . 5.080 3.699 3.364 4.217 . 0 0 "[ . 1 . 2]" 1
650 1 96 HIS HA 1 97 TYR QE 6.700 . 7.300 4.663 3.535 5.959 . 0 0 "[ . 1 . 2]" 1
651 1 96 HIS HA 1 120 ALA HA 2.400 . 3.000 2.291 2.010 2.485 . 0 0 "[ . 1 . 2]" 1
652 1 96 HIS HA 1 120 ALA MB 4.380 . 4.980 2.871 2.493 3.617 . 0 0 "[ . 1 . 2]" 1
653 1 96 HIS HA 1 121 VAL H 3.300 . 3.900 3.410 3.012 3.828 . 0 0 "[ . 1 . 2]" 1
654 1 96 HIS HA 1 121 VAL QG 4.600 . 5.200 4.680 4.041 5.319 0.119 9 0 "[ . 1 . 2]" 1
655 1 96 HIS HB2 1 97 TYR H 3.240 . 3.840 3.426 2.240 3.818 . 0 0 "[ . 1 . 2]" 1
656 1 96 HIS HB3 1 97 TYR H 3.170 . 3.770 3.069 2.669 3.744 . 0 0 "[ . 1 . 2]" 1
657 1 96 HIS HD2 1 151 VAL H 5.500 . 6.100 4.019 2.763 4.603 . 0 0 "[ . 1 . 2]" 1
658 1 96 HIS HD2 1 151 VAL HB 2.930 . 3.530 2.465 1.866 3.215 . 0 0 "[ . 1 . 2]" 1
659 1 96 HIS HD2 1 151 VAL QG 3.800 . 4.400 2.707 2.288 3.227 . 0 0 "[ . 1 . 2]" 1
660 1 96 HIS HE1 1 151 VAL QG 4.710 . 5.310 4.972 4.280 5.683 0.373 20 0 "[ . 1 . 2]" 1
661 1 97 TYR H 1 97 TYR HA 2.900 . 3.500 2.864 2.797 2.974 . 0 0 "[ . 1 . 2]" 1
662 1 97 TYR H 1 97 TYR HB2 3.700 . 4.300 3.301 2.503 3.944 . 0 0 "[ . 1 . 2]" 1
663 1 97 TYR H 1 97 TYR HB3 3.700 . 4.300 3.598 3.184 3.763 . 0 0 "[ . 1 . 2]" 1
664 1 97 TYR H 1 119 GLY H 3.730 . 4.330 3.329 3.067 3.588 . 0 0 "[ . 1 . 2]" 1
665 1 97 TYR H 1 120 ALA HA 3.270 . 3.870 3.295 2.926 3.613 . 0 0 "[ . 1 . 2]" 1
666 1 97 TYR HA 1 98 TYR H 2.460 . 3.060 2.247 2.014 2.463 . 0 0 "[ . 1 . 2]" 1
667 1 97 TYR HA 1 150 ALA HA 2.400 . 3.000 2.462 2.141 2.985 . 0 0 "[ . 1 . 2]" 1
668 1 97 TYR HA 1 151 VAL H 3.330 . 3.930 3.574 3.146 3.940 0.010 4 0 "[ . 1 . 2]" 1
669 1 97 TYR HB2 1 98 TYR H 4.110 . 4.710 3.268 2.489 4.218 . 0 0 "[ . 1 . 2]" 1
670 1 97 TYR HB3 1 98 TYR H 4.110 . 4.710 3.401 2.799 3.905 . 0 0 "[ . 1 . 2]" 1
671 1 97 TYR QD 1 99 ILE MG 5.550 . 6.150 5.023 4.151 5.982 . 0 0 "[ . 1 . 2]" 1
672 1 97 TYR QD 1 118 ILE MG 5.980 . 6.580 2.915 1.961 4.766 . 0 0 "[ . 1 . 2]" 1
673 1 97 TYR QD 1 119 GLY H 7.630 . 8.230 4.039 2.872 5.503 . 0 0 "[ . 1 . 2]" 1
674 1 97 TYR QD 1 121 VAL QG 5.600 . 6.200 4.057 3.038 4.699 . 0 0 "[ . 1 . 2]" 1
675 1 97 TYR QD 1 136 ILE MD 5.550 . 6.150 3.682 2.684 4.922 . 0 0 "[ . 1 . 2]" 1
676 1 97 TYR QD 1 136 ILE MG 6.070 . 6.670 4.997 2.963 6.379 . 0 0 "[ . 1 . 2]" 1
677 1 97 TYR QE 1 118 ILE MG 6.390 . 6.990 4.091 2.694 5.875 . 0 0 "[ . 1 . 2]" 1
678 1 97 TYR QE 1 121 VAL QG 5.760 . 6.360 2.851 2.089 5.083 . 0 0 "[ . 1 . 2]" 1
679 1 97 TYR QE 1 134 HIS QB 4.780 . 5.380 4.130 2.329 5.264 . 0 0 "[ . 1 . 2]" 1
680 1 97 TYR QE 1 136 ILE MD 6.210 . 6.810 3.533 1.975 5.521 . 0 0 "[ . 1 . 2]" 1
681 1 97 TYR QE 1 150 ALA MB 6.700 . 7.300 4.660 2.211 6.610 . 0 0 "[ . 1 . 2]" 1
682 1 98 TYR H 1 98 TYR QB 3.470 . 4.070 2.697 2.290 3.276 . 0 0 "[ . 1 . 2]" 1
683 1 98 TYR H 1 148 ILE MG 5.500 . 6.100 3.479 2.972 3.926 . 0 0 "[ . 1 . 2]" 1
684 1 98 TYR H 1 149 LEU H 3.240 . 3.840 3.051 2.776 3.438 . 0 0 "[ . 1 . 2]" 1
685 1 98 TYR H 1 149 LEU QB 4.440 . 5.040 3.401 2.884 3.989 . 0 0 "[ . 1 . 2]" 1
686 1 98 TYR H 1 149 LEU QD 6.420 . 7.020 4.289 3.778 4.866 . 0 0 "[ . 1 . 2]" 1
687 1 98 TYR H 1 150 ALA HA 3.980 . 4.580 3.513 3.073 3.975 . 0 0 "[ . 1 . 2]" 1
688 1 98 TYR HA 1 99 ILE H 2.590 . 3.190 2.406 2.215 2.585 . 0 0 "[ . 1 . 2]" 1
689 1 98 TYR HA 1 117 LEU HA 3.050 . 3.650 2.556 2.265 2.860 . 0 0 "[ . 1 . 2]" 1
690 1 98 TYR HA 1 117 LEU QD 4.710 . 5.310 3.586 3.026 3.918 . 0 0 "[ . 1 . 2]" 1
691 1 98 TYR HA 1 118 ILE H 3.050 . 3.650 2.342 2.035 2.635 . 0 0 "[ . 1 . 2]" 1
692 1 98 TYR HA 1 119 GLY H 3.790 . 4.390 4.009 3.626 4.231 . 0 0 "[ . 1 . 2]" 1
693 1 98 TYR QB 1 99 ILE H 2.740 . 3.340 2.546 2.170 3.025 . 0 0 "[ . 1 . 2]" 1
694 1 98 TYR QB 1 149 LEU H 4.310 . 4.910 3.385 2.785 4.873 . 0 0 "[ . 1 . 2]" 1
695 1 98 TYR HB2 1 99 ILE H 3.390 . 3.990 3.450 2.194 4.118 0.128 14 0 "[ . 1 . 2]" 1
696 1 98 TYR HB3 1 99 ILE H 3.390 . 3.990 2.717 2.419 3.561 . 0 0 "[ . 1 . 2]" 1
697 1 98 TYR QD 1 99 ILE H 7.260 . 7.860 4.077 3.540 4.503 . 0 0 "[ . 1 . 2]" 1
698 1 98 TYR QD 1 118 ILE H 7.630 . 8.230 4.339 3.843 4.757 . 0 0 "[ . 1 . 2]" 1
699 1 98 TYR QD 1 149 LEU MD1 8.520 . 9.120 4.341 2.950 5.655 . 0 0 "[ . 1 . 2]" 1
700 1 98 TYR QD 1 149 LEU QD 7.430 . 8.030 3.664 2.759 4.232 . 0 0 "[ . 1 . 2]" 1
701 1 98 TYR QD 1 149 LEU MD2 8.520 . 9.120 4.331 2.795 5.605 . 0 0 "[ . 1 . 2]" 1
702 1 98 TYR QD 1 149 LEU HG 5.120 . 5.720 5.360 3.620 6.076 0.356 13 0 "[ . 1 . 2]" 1
703 1 98 TYR QD 1 151 VAL QG 6.440 . 7.040 3.191 2.328 3.947 . 0 0 "[ . 1 . 2]" 1
704 1 98 TYR QE 1 149 LEU QD 8.000 . 8.600 4.641 2.585 5.520 . 0 0 "[ . 1 . 2]" 1
705 1 98 TYR QE 1 151 VAL QG 6.470 . 7.070 2.374 2.053 2.792 . 0 0 "[ . 1 . 2]" 1
706 1 99 ILE H 1 99 ILE HB 3.790 . 4.390 3.794 3.609 3.891 . 0 0 "[ . 1 . 2]" 1
707 1 99 ILE H 1 99 ILE MG 3.760 . 4.360 3.052 2.742 3.283 . 0 0 "[ . 1 . 2]" 1
708 1 99 ILE H 1 115 PHE QB 4.500 . 5.100 4.333 3.629 5.435 0.335 17 0 "[ . 1 . 2]" 1
709 1 99 ILE H 1 115 PHE QD 7.630 . 8.230 4.735 3.551 6.331 . 0 0 "[ . 1 . 2]" 1
710 1 99 ILE H 1 116 GLU H 2.900 . 3.500 2.900 2.560 3.093 . 0 0 "[ . 1 . 2]" 1
711 1 99 ILE H 1 116 GLU QB 5.340 . 5.940 3.568 2.976 5.106 . 0 0 "[ . 1 . 2]" 1
712 1 99 ILE H 1 117 LEU HA 3.520 . 4.120 3.969 3.424 4.262 0.142 1 0 "[ . 1 . 2]" 1
713 1 99 ILE H 1 118 ILE MG 4.350 . 4.950 3.731 2.616 4.250 . 0 0 "[ . 1 . 2]" 1
714 1 99 ILE HA 1 99 ILE QG 3.620 . 4.220 3.246 3.158 3.404 . 0 0 "[ . 1 . 2]" 1
715 1 99 ILE HA 1 100 THR H 2.550 . 3.150 2.419 2.203 2.593 . 0 0 "[ . 1 . 2]" 1
716 1 99 ILE HA 1 148 ILE HA 2.930 . 3.530 2.585 2.397 2.791 . 0 0 "[ . 1 . 2]" 1
717 1 99 ILE HA 1 149 LEU H 3.210 . 3.810 3.170 2.723 3.593 . 0 0 "[ . 1 . 2]" 1
718 1 99 ILE HB 1 99 ILE MD 3.420 . 4.020 2.334 2.215 2.432 . 0 0 "[ . 1 . 2]" 1
719 1 99 ILE HB 1 100 THR H 2.930 . 3.530 2.794 2.365 3.224 . 0 0 "[ . 1 . 2]" 1
720 1 99 ILE MD 1 136 ILE MG 6.110 . 6.710 5.097 3.931 6.205 . 0 0 "[ . 1 . 2]" 1
721 1 99 ILE QG 1 118 ILE MG 3.380 . 3.980 3.508 2.056 3.929 . 0 0 "[ . 1 . 2]" 1
722 1 99 ILE MG 1 100 THR H 4.750 . 5.350 3.780 3.563 4.158 . 0 0 "[ . 1 . 2]" 1
723 1 100 THR H 1 100 THR HB 4.200 . 4.800 3.275 2.475 3.612 . 0 0 "[ . 1 . 2]" 1
724 1 100 THR H 1 100 THR MG 3.880 . 4.480 2.723 2.108 3.898 . 0 0 "[ . 1 . 2]" 1
725 1 100 THR H 1 147 VAL H 3.110 . 3.710 3.145 2.559 3.744 0.034 15 0 "[ . 1 . 2]" 1
726 1 100 THR H 1 147 VAL HB 5.500 . 6.100 3.851 2.631 5.293 . 0 0 "[ . 1 . 2]" 1
727 1 100 THR H 1 147 VAL QG 5.560 . 6.160 4.091 3.068 4.774 . 0 0 "[ . 1 . 2]" 1
728 1 100 THR H 1 148 ILE HA 3.580 . 4.180 3.915 3.258 4.331 0.151 2 0 "[ . 1 . 2]" 1
729 1 100 THR HA 1 101 LYS H 2.680 . 3.280 2.360 2.009 2.615 . 0 0 "[ . 1 . 2]" 1
730 1 100 THR HB 1 147 VAL H 5.500 . 6.100 3.761 1.873 4.701 . 0 0 "[ . 1 . 2]" 1
731 1 100 THR MG 1 115 PHE QD 6.850 . 7.450 4.477 2.514 6.325 . 0 0 "[ . 1 . 2]" 1
732 1 100 THR MG 1 147 VAL H 4.440 . 5.040 3.069 1.764 4.687 . 0 0 "[ . 1 . 2]" 1
733 1 100 THR MG 1 147 VAL HB 3.910 . 4.510 2.701 2.058 4.582 0.072 18 0 "[ . 1 . 2]" 1
734 1 100 THR MG 1 147 VAL QG 4.710 . 5.310 2.734 2.153 3.396 . 0 0 "[ . 1 . 2]" 1
735 1 101 LYS H 1 101 LYS HA 2.830 . 3.430 2.867 2.758 2.961 . 0 0 "[ . 1 . 2]" 1
736 1 101 LYS HA 1 102 LYS H 2.590 . 3.190 2.297 2.100 2.628 . 0 0 "[ . 1 . 2]" 1
737 1 102 LYS H 1 102 LYS HA 2.400 . 3.000 2.766 2.593 2.914 . 0 0 "[ . 1 . 2]" 1
738 1 102 LYS H 1 102 LYS HB2 2.900 . 3.500 2.736 2.040 3.986 0.486 20 0 "[ . 1 . 2]" 1
739 1 102 LYS HA 1 103 GLY H 2.710 . 3.310 2.386 2.063 2.690 . 0 0 "[ . 1 . 2]" 1
740 1 103 GLY H 1 104 TRP H 2.960 . 3.560 2.413 1.987 3.073 . 0 0 "[ . 1 . 2]" 1
741 1 103 GLY QA 1 104 TRP HD1 4.380 . 4.980 4.629 3.681 5.233 0.253 16 0 "[ . 1 . 2]" 1
742 1 104 TRP H 1 104 TRP HB2 3.610 . 4.210 3.515 3.347 3.885 . 0 0 "[ . 1 . 2]" 1
743 1 104 TRP H 1 104 TRP HB3 3.610 . 4.210 2.703 2.459 3.375 . 0 0 "[ . 1 . 2]" 1
744 1 104 TRP H 1 104 TRP HD1 3.520 . 4.120 3.067 1.939 4.022 . 0 0 "[ . 1 . 2]" 1
745 1 104 TRP HA 1 105 ASP H 2.400 . 3.000 2.407 2.159 2.646 . 0 0 "[ . 1 . 2]" 1
746 1 104 TRP QB 1 105 ASP H 2.470 . 3.070 2.538 2.152 2.914 . 0 0 "[ . 1 . 2]" 1
747 1 104 TRP HD1 1 105 ASP H 4.350 . 4.950 4.278 3.683 5.002 0.052 13 0 "[ . 1 . 2]" 1
748 1 104 TRP HH2 1 110 LEU QD 3.830 . 4.430 4.165 2.848 5.037 0.607 4 1 "[ +. 1 . 2]" 1
749 1 104 TRP HZ2 1 110 LEU QD 3.960 . 4.560 3.782 2.752 4.970 0.410 13 0 "[ . 1 . 2]" 1
750 1 105 ASP H 1 105 ASP HB2 2.990 . 3.590 2.884 2.295 3.388 . 0 0 "[ . 1 . 2]" 1
751 1 105 ASP H 1 105 ASP QB 2.500 . 3.100 2.423 2.051 2.854 . 0 0 "[ . 1 . 2]" 1
752 1 105 ASP H 1 105 ASP HB3 2.990 . 3.590 2.624 2.132 3.072 . 0 0 "[ . 1 . 2]" 1
753 1 106 PRO HA 1 107 ASP H 3.480 . 4.080 3.360 3.226 3.448 . 0 0 "[ . 1 . 2]" 1
754 1 106 PRO QB 1 107 ASP H 2.940 . 3.540 3.259 2.567 3.523 . 0 0 "[ . 1 . 2]" 1
755 1 106 PRO QB 1 108 LYS H 3.320 . 3.920 4.434 4.242 4.695 0.775 12 11 "[ ** **1 +**** -*]" 1
756 1 106 PRO HB2 1 107 ASP H 3.730 . 4.330 3.409 2.605 3.729 . 0 0 "[ . 1 . 2]" 1
757 1 106 PRO HB3 1 107 ASP H 3.730 . 4.330 4.198 3.879 4.335 0.005 19 0 "[ . 1 . 2]" 1
758 1 107 ASP H 1 107 ASP HA 2.830 . 3.430 2.800 2.632 2.887 . 0 0 "[ . 1 . 2]" 1
759 1 107 ASP H 1 107 ASP HB2 2.590 . 3.190 2.496 2.326 2.759 . 0 0 "[ . 1 . 2]" 1
760 1 107 ASP H 1 107 ASP HB3 2.400 . 3.000 2.622 2.430 2.948 . 0 0 "[ . 1 . 2]" 1
761 1 107 ASP H 1 108 LYS H 2.490 . 3.090 2.498 2.166 2.798 . 0 0 "[ . 1 . 2]" 1
762 1 107 ASP HA 1 107 ASP HB2 2.490 . 3.090 2.473 2.334 2.601 . 0 0 "[ . 1 . 2]" 1
763 1 107 ASP HB2 1 108 LYS H 3.550 . 4.150 4.079 3.876 4.297 0.147 19 0 "[ . 1 . 2]" 1
764 1 107 ASP HB3 1 108 LYS H 3.330 . 3.930 3.350 2.839 3.740 . 0 0 "[ . 1 . 2]" 1
765 1 108 LYS H 1 108 LYS HB2 3.480 . 4.080 2.391 2.141 2.695 . 0 0 "[ . 1 . 2]" 1
766 1 108 LYS H 1 108 LYS QB 3.040 . 3.640 2.355 2.120 2.635 . 0 0 "[ . 1 . 2]" 1
767 1 108 LYS H 1 108 LYS HB3 3.480 . 4.080 3.545 3.396 3.721 . 0 0 "[ . 1 . 2]" 1
768 1 108 LYS HA 1 109 PRO QD 2.740 . 3.340 2.219 1.945 2.405 . 0 0 "[ . 1 . 2]" 1
769 1 108 LYS HA 1 110 LEU H 4.480 . 5.080 4.539 4.181 5.101 0.021 4 0 "[ . 1 . 2]" 1
770 1 108 LYS QE 1 108 LYS QG 2.360 . 2.960 2.154 1.966 2.472 . 0 0 "[ . 1 . 2]" 1
771 1 109 PRO HA 1 111 LYS H 3.790 . 4.390 3.742 3.233 4.445 0.055 8 0 "[ . 1 . 2]" 1
772 1 109 PRO HA 1 113 ALA H 3.080 . 3.680 4.122 3.830 4.588 0.908 11 7 "[- . ****+* . 2]" 1
773 1 109 PRO HB2 1 110 LEU H 3.080 . 3.680 3.993 3.736 4.375 0.695 4 3 "[ - +. * 1 . 2]" 1
774 1 109 PRO QD 1 110 LEU H 3.550 . 4.150 3.960 3.715 4.478 0.328 10 0 "[ . 1 . 2]" 1
775 1 109 PRO QG 1 110 LEU H 3.800 . 4.400 4.599 4.242 4.774 0.374 10 0 "[ . 1 . 2]" 1
776 1 110 LEU H 1 110 LEU QD 3.410 . 4.010 3.469 2.262 3.794 . 0 0 "[ . 1 . 2]" 1
777 1 110 LEU H 1 111 LYS H 3.450 . 4.050 3.250 2.666 4.027 . 0 0 "[ . 1 . 2]" 1
778 1 110 LEU HA 1 113 ALA H 4.790 . 5.390 3.949 3.255 5.040 . 0 0 "[ . 1 . 2]" 1
779 1 110 LEU HA 1 113 ALA MB 4.970 . 5.570 3.516 2.170 5.400 . 0 0 "[ . 1 . 2]" 1
780 1 110 LEU QB 1 111 LYS H 3.020 . 3.620 2.724 2.273 3.542 . 0 0 "[ . 1 . 2]" 1
781 1 110 LEU QD 1 111 LYS H 6.000 . 6.600 3.441 2.757 4.389 . 0 0 "[ . 1 . 2]" 1
782 1 111 LYS H 1 111 LYS QB 3.080 . 3.680 2.476 2.309 2.768 . 0 0 "[ . 1 . 2]" 1
783 1 111 LYS H 1 111 LYS QE 4.470 . 5.070 3.899 3.167 4.835 . 0 0 "[ . 1 . 2]" 1
784 1 111 LYS HA 1 111 LYS QB 2.600 . 3.200 2.270 2.045 2.428 . 0 0 "[ . 1 . 2]" 1
785 1 111 LYS HA 1 112 ARG H 3.110 . 3.710 3.222 3.071 3.457 . 0 0 "[ . 1 . 2]" 1
786 1 111 LYS QE 1 112 ARG H 4.820 . 5.420 5.179 4.727 5.649 0.229 16 0 "[ . 1 . 2]" 1
787 1 112 ARG H 1 112 ARG QB 2.400 . 3.000 2.426 2.207 2.616 . 0 0 "[ . 1 . 2]" 1
788 1 112 ARG H 1 112 ARG HD2 5.440 . 6.040 4.716 4.306 5.255 . 0 0 "[ . 1 . 2]" 1
789 1 112 ARG H 1 112 ARG QD 4.660 . 5.260 4.201 3.609 4.651 . 0 0 "[ . 1 . 2]" 1
790 1 112 ARG H 1 112 ARG HD3 5.440 . 6.040 4.885 3.733 5.949 . 0 0 "[ . 1 . 2]" 1
791 1 112 ARG H 1 113 ALA H 3.050 . 3.650 2.233 1.958 2.803 . 0 0 "[ . 1 . 2]" 1
792 1 112 ARG QB 1 113 ALA H 2.620 . 3.220 2.212 1.902 2.481 . 0 0 "[ . 1 . 2]" 1
793 1 112 ARG QB 1 114 ASP H 3.610 . 4.210 4.224 4.005 4.466 0.256 8 0 "[ . 1 . 2]" 1
794 1 112 ARG QG 1 113 ALA H 4.060 . 4.660 3.866 3.186 4.259 . 0 0 "[ . 1 . 2]" 1
795 1 113 ALA H 1 114 ASP H 3.420 . 4.020 2.821 2.102 3.203 . 0 0 "[ . 1 . 2]" 1
796 1 113 ALA MB 1 114 ASP H 4.410 . 5.010 3.286 2.824 3.660 . 0 0 "[ . 1 . 2]" 1
797 1 114 ASP H 1 114 ASP HB2 3.390 . 3.990 2.737 2.246 3.705 . 0 0 "[ . 1 . 2]" 1
798 1 114 ASP H 1 114 ASP HB3 2.930 . 3.530 2.681 2.074 3.729 0.199 12 0 "[ . 1 . 2]" 1
799 1 114 ASP HA 1 114 ASP HB2 2.620 . 3.220 2.505 2.255 2.929 . 0 0 "[ . 1 . 2]" 1
800 1 114 ASP HA 1 114 ASP HB3 2.680 . 3.280 2.733 2.404 2.957 . 0 0 "[ . 1 . 2]" 1
801 1 114 ASP HA 1 115 PHE H 2.860 . 3.460 3.219 2.775 3.486 0.026 3 0 "[ . 1 . 2]" 1
802 1 114 ASP HB3 1 115 PHE QD 5.270 . 5.870 4.054 2.626 6.062 0.192 7 0 "[ . 1 . 2]" 1
803 1 115 PHE H 1 115 PHE QB 2.470 . 3.070 2.753 2.239 3.094 0.024 2 0 "[ . 1 . 2]" 1
804 1 115 PHE HA 1 116 GLU H 2.710 . 3.310 2.377 2.199 2.903 . 0 0 "[ . 1 . 2]" 1
805 1 115 PHE QB 1 116 GLU H 4.260 . 4.860 2.850 2.155 3.934 . 0 0 "[ . 1 . 2]" 1
806 1 115 PHE QD 1 149 LEU QD 5.930 . 6.530 3.383 2.337 5.393 . 0 0 "[ . 1 . 2]" 1
807 1 116 GLU H 1 116 GLU QB 3.280 . 3.880 2.548 2.238 3.074 . 0 0 "[ . 1 . 2]" 1
808 1 116 GLU HA 1 117 LEU H 2.400 . 3.000 2.310 2.210 2.495 . 0 0 "[ . 1 . 2]" 1
809 1 116 GLU QB 1 117 LEU H 3.320 . 3.920 3.160 2.703 3.778 . 0 0 "[ . 1 . 2]" 1
810 1 117 LEU H 1 117 LEU HB2 3.080 . 3.680 2.496 2.156 2.800 . 0 0 "[ . 1 . 2]" 1
811 1 117 LEU H 1 117 LEU QB 2.670 . 3.270 2.223 2.025 2.326 . 0 0 "[ . 1 . 2]" 1
812 1 117 LEU H 1 117 LEU HB3 3.080 . 3.680 2.522 2.305 2.794 . 0 0 "[ . 1 . 2]" 1
813 1 117 LEU H 1 117 LEU HG 5.160 . 5.760 4.481 4.306 4.648 . 0 0 "[ . 1 . 2]" 1
814 1 117 LEU HA 1 119 GLY H 3.830 . 4.430 3.632 3.394 3.902 . 0 0 "[ . 1 . 2]" 1
815 1 117 LEU QB 1 118 ILE H 3.730 . 4.330 3.744 3.597 3.917 . 0 0 "[ . 1 . 2]" 1
816 1 117 LEU QB 1 120 ALA MB 4.050 . 4.650 4.872 4.577 5.307 0.657 12 2 "[ - 1 + . 2]" 1
817 1 117 LEU QD 1 119 GLY H 3.410 . 4.010 2.922 2.378 3.249 . 0 0 "[ . 1 . 2]" 1
818 1 117 LEU QD 1 120 ALA MB 5.280 . 5.880 2.297 2.054 2.865 . 0 0 "[ . 1 . 2]" 1
819 1 117 LEU HG 1 119 GLY H 4.570 . 5.170 2.587 2.154 2.980 . 0 0 "[ . 1 . 2]" 1
820 1 117 LEU HG 1 120 ALA MB 3.640 . 4.240 3.857 3.563 4.448 0.208 4 0 "[ . 1 . 2]" 1
821 1 118 ILE H 1 118 ILE MG 3.850 . 4.450 2.310 1.932 2.998 . 0 0 "[ . 1 . 2]" 1
822 1 118 ILE H 1 119 GLY H 2.400 . 3.000 2.032 1.704 2.395 . 0 0 "[ . 1 . 2]" 1
823 1 118 ILE HA 1 118 ILE HB 2.520 . 3.120 2.438 2.213 2.655 . 0 0 "[ . 1 . 2]" 1
824 1 118 ILE HB 1 119 GLY H 3.790 . 4.390 4.103 3.950 4.295 . 0 0 "[ . 1 . 2]" 1
825 1 118 ILE MG 1 119 GLY H 4.570 . 5.170 2.826 2.529 4.242 . 0 0 "[ . 1 . 2]" 1
826 1 119 GLY QA 1 120 ALA H 2.320 . 2.920 2.236 2.144 2.337 . 0 0 "[ . 1 . 2]" 1
827 1 119 GLY HA2 1 120 ALA H 2.770 . 3.370 2.388 2.244 2.660 . 0 0 "[ . 1 . 2]" 1
828 1 119 GLY HA3 1 120 ALA H 2.770 . 3.370 2.736 2.524 2.967 . 0 0 "[ . 1 . 2]" 1
829 1 120 ALA HA 1 121 VAL H 2.400 . 3.000 2.302 2.068 2.504 . 0 0 "[ . 1 . 2]" 1
830 1 120 ALA MB 1 121 VAL H 3.910 . 4.510 2.782 2.510 3.022 . 0 0 "[ . 1 . 2]" 1
831 1 121 VAL H 1 121 VAL HB 2.860 . 3.460 2.815 2.433 3.436 . 0 0 "[ . 1 . 2]" 1
832 1 121 VAL H 1 121 VAL QG 3.860 . 4.460 2.739 2.181 2.954 . 0 0 "[ . 1 . 2]" 1
833 1 121 VAL QG 1 134 HIS HA 5.470 . 6.070 5.437 4.584 5.788 . 0 0 "[ . 1 . 2]" 1
834 1 121 VAL QG 1 134 HIS QB 3.650 . 4.250 4.051 3.267 4.781 0.531 20 1 "[ . 1 . +]" 1
835 1 121 VAL QG 1 134 HIS HD2 3.410 . 4.010 3.706 2.364 4.435 0.425 16 0 "[ . 1 . 2]" 1
836 1 121 VAL QG 1 135 HIS H 5.400 . 6.000 6.228 5.650 6.833 0.833 1 5 "[+ *. *- * . 2]" 1
837 1 122 PRO HA 1 123 HIS H 2.460 . 3.060 2.282 2.065 2.416 . 0 0 "[ . 1 . 2]" 1
838 1 122 PRO HB2 1 123 HIS H 3.270 . 3.870 2.790 2.360 3.026 . 0 0 "[ . 1 . 2]" 1
839 1 122 PRO HB3 1 123 HIS H 3.270 . 3.870 3.596 3.377 3.833 . 0 0 "[ . 1 . 2]" 1
840 1 123 HIS H 1 123 HIS HA 2.860 . 3.460 2.856 2.756 2.955 . 0 0 "[ . 1 . 2]" 1
841 1 123 HIS H 1 123 HIS HB2 2.990 . 3.590 2.802 2.325 3.290 . 0 0 "[ . 1 . 2]" 1
842 1 123 HIS H 1 123 HIS QB 2.600 . 3.200 2.465 2.192 2.771 . 0 0 "[ . 1 . 2]" 1
843 1 123 HIS H 1 123 HIS HB3 2.990 . 3.590 2.772 2.494 3.156 . 0 0 "[ . 1 . 2]" 1
844 1 123 HIS HA 1 124 ASP H 2.590 . 3.190 2.419 2.013 3.071 . 0 0 "[ . 1 . 2]" 1
845 1 123 HIS HA 1 125 GLY H 4.320 . 4.920 3.600 2.929 4.293 . 0 0 "[ . 1 . 2]" 1
846 1 124 ASP H 1 124 ASP HA 2.860 . 3.460 2.803 2.212 2.905 . 0 0 "[ . 1 . 2]" 1
847 1 124 ASP H 1 124 ASP HB2 3.450 . 4.050 3.370 2.449 3.870 . 0 0 "[ . 1 . 2]" 1
848 1 124 ASP H 1 124 ASP HB3 3.390 . 3.990 2.999 2.398 3.746 . 0 0 "[ . 1 . 2]" 1
849 1 124 ASP H 1 125 GLY H 2.930 . 3.530 2.226 1.838 2.905 . 0 0 "[ . 1 . 2]" 1
850 1 124 ASP HA 1 124 ASP HB2 2.710 . 3.310 2.484 2.247 2.942 . 0 0 "[ . 1 . 2]" 1
851 1 124 ASP HA 1 124 ASP HB3 2.520 . 3.120 2.562 2.395 2.986 . 0 0 "[ . 1 . 2]" 1
852 1 124 ASP HA 1 125 GLY H 3.450 . 4.050 3.254 2.795 3.495 . 0 0 "[ . 1 . 2]" 1
853 1 124 ASP HB2 1 125 GLY H 3.480 . 4.080 3.974 2.784 4.670 0.590 9 2 "[ -. +1 . 2]" 1
854 1 125 GLY H 1 125 GLY HA2 2.900 . 3.500 2.620 2.268 2.906 . 0 0 "[ . 1 . 2]" 1
855 1 125 GLY H 1 125 GLY QA 2.440 . 3.040 2.352 2.141 2.503 . 0 0 "[ . 1 . 2]" 1
856 1 125 GLY H 1 125 GLY HA3 2.900 . 3.500 2.743 2.231 2.888 . 0 0 "[ . 1 . 2]" 1
857 1 126 SER H 1 126 SER QB 3.570 . 4.170 2.623 2.145 3.378 . 0 0 "[ . 1 . 2]" 1
858 1 127 PRO HA 1 128 ALA H 2.490 . 3.090 2.736 2.236 3.342 0.252 5 0 "[ . 1 . 2]" 1
859 1 127 PRO HA 1 129 SER H 5.500 . 6.100 3.979 2.612 4.649 . 0 0 "[ . 1 . 2]" 1
860 1 127 PRO QB 1 128 ALA H 3.720 . 4.320 2.810 1.945 3.941 . 0 0 "[ . 1 . 2]" 1
861 1 127 PRO HB2 1 128 ALA H 4.450 . 5.050 2.924 1.961 4.257 . 0 0 "[ . 1 . 2]" 1
862 1 127 PRO HB3 1 128 ALA H 4.450 . 5.050 3.813 3.252 4.649 . 0 0 "[ . 1 . 2]" 1
863 1 127 PRO QG 1 128 ALA H 5.030 . 5.630 3.618 2.656 4.468 . 0 0 "[ . 1 . 2]" 1
864 1 128 ALA H 1 129 SER H 3.830 . 4.430 2.734 2.200 3.285 . 0 0 "[ . 1 . 2]" 1
865 1 128 ALA MB 1 129 SER H 6.520 . 7.120 2.931 2.495 3.345 . 0 0 "[ . 1 . 2]" 1
866 1 129 SER H 1 129 SER QB 3.640 . 4.240 2.507 2.224 2.726 . 0 0 "[ . 1 . 2]" 1
867 1 129 SER H 1 130 ARG H 3.450 . 4.050 2.668 2.252 3.040 . 0 0 "[ . 1 . 2]" 1
868 1 129 SER HA 1 131 ASN H 3.610 . 4.210 3.583 3.102 4.193 . 0 0 "[ . 1 . 2]" 1
869 1 130 ARG H 1 130 ARG QB 2.740 . 3.340 2.312 1.966 2.691 . 0 0 "[ . 1 . 2]" 1
870 1 130 ARG H 1 130 ARG QG 4.060 . 4.660 3.213 2.155 4.001 . 0 0 "[ . 1 . 2]" 1
871 1 130 ARG HA 1 131 ASN H 3.330 . 3.930 3.264 2.979 3.480 . 0 0 "[ . 1 . 2]" 1
872 1 130 ARG HB2 1 131 ASN H 3.980 . 4.580 3.824 3.076 4.288 . 0 0 "[ . 1 . 2]" 1
873 1 130 ARG HB3 1 131 ASN H 3.980 . 4.580 3.615 2.631 4.449 . 0 0 "[ . 1 . 2]" 1
874 1 130 ARG QG 1 131 ASN H 5.340 . 5.940 4.074 2.476 4.932 . 0 0 "[ . 1 . 2]" 1
875 1 131 ASN H 1 131 ASN HB2 3.550 . 4.150 2.402 2.233 2.683 . 0 0 "[ . 1 . 2]" 1
876 1 131 ASN H 1 131 ASN QB 3.100 . 3.700 2.344 2.208 2.622 . 0 0 "[ . 1 . 2]" 1
877 1 131 ASN H 1 131 ASN HB3 3.550 . 4.150 3.435 2.504 3.681 . 0 0 "[ . 1 . 2]" 1
878 1 131 ASN HA 1 132 LEU H 2.400 . 3.000 2.255 2.088 2.367 . 0 0 "[ . 1 . 2]" 1
879 1 131 ASN HA 1 133 SER H 3.550 . 4.150 3.849 2.990 4.248 0.098 19 0 "[ . 1 . 2]" 1
880 1 131 ASN QB 1 132 LEU H 4.260 . 4.860 3.122 2.368 3.979 . 0 0 "[ . 1 . 2]" 1
881 1 132 LEU H 1 132 LEU HB2 2.400 . 3.000 2.372 2.075 2.822 . 0 0 "[ . 1 . 2]" 1
882 1 132 LEU H 1 132 LEU HB3 2.930 . 3.530 2.739 2.264 3.460 . 0 0 "[ . 1 . 2]" 1
883 1 132 LEU H 1 132 LEU HG 4.040 . 4.640 4.328 3.014 4.840 0.200 1 0 "[ . 1 . 2]" 1
884 1 132 LEU H 1 133 SER H 2.620 . 3.220 2.474 1.891 3.042 . 0 0 "[ . 1 . 2]" 1
885 1 132 LEU HA 1 133 SER H 3.300 . 3.900 3.358 2.866 3.524 . 0 0 "[ . 1 . 2]" 1
886 1 132 LEU HB2 1 133 SER H 3.950 . 4.550 3.784 2.854 4.189 . 0 0 "[ . 1 . 2]" 1
887 1 132 LEU HB3 1 133 SER H 3.580 . 4.180 3.148 2.564 4.053 . 0 0 "[ . 1 . 2]" 1
888 1 132 LEU HG 1 133 SER H 5.500 . 6.100 4.639 3.848 5.915 . 0 0 "[ . 1 . 2]" 1
889 1 133 SER H 1 133 SER HA 2.860 . 3.460 2.833 2.746 2.908 . 0 0 "[ . 1 . 2]" 1
890 1 133 SER H 1 133 SER HB2 3.170 . 3.770 2.665 2.368 3.235 . 0 0 "[ . 1 . 2]" 1
891 1 133 SER H 1 133 SER QB 2.640 . 3.240 2.271 2.093 2.544 . 0 0 "[ . 1 . 2]" 1
892 1 133 SER H 1 133 SER HB3 3.170 . 3.770 2.518 2.194 3.545 . 0 0 "[ . 1 . 2]" 1
893 1 133 SER HA 1 134 HIS H 2.400 . 3.000 2.265 2.082 2.398 . 0 0 "[ . 1 . 2]" 1
894 1 133 SER QB 1 134 HIS H 3.560 . 4.160 3.636 2.892 3.840 . 0 0 "[ . 1 . 2]" 1
895 1 134 HIS H 1 134 HIS QB 3.390 . 3.990 2.637 2.446 2.826 . 0 0 "[ . 1 . 2]" 1
896 1 134 HIS H 1 134 HIS HD2 5.500 . 6.100 4.656 3.185 5.635 . 0 0 "[ . 1 . 2]" 1
897 1 134 HIS HA 1 134 HIS HD2 2.620 . 3.220 3.000 2.652 3.363 0.143 3 0 "[ . 1 . 2]" 1
898 1 134 HIS HA 1 135 HIS H 2.400 . 3.000 2.285 2.092 2.585 . 0 0 "[ . 1 . 2]" 1
899 1 134 HIS QB 1 135 HIS H 3.080 . 3.680 2.999 2.413 3.608 . 0 0 "[ . 1 . 2]" 1
900 1 134 HIS HD2 1 135 HIS H 4.510 . 5.110 4.165 2.703 5.430 0.320 3 0 "[ . 1 . 2]" 1
901 1 135 HIS H 1 135 HIS HB2 3.520 . 4.120 2.476 2.290 2.699 . 0 0 "[ . 1 . 2]" 1
902 1 135 HIS H 1 135 HIS QB 2.650 . 3.250 2.434 2.260 2.639 . 0 0 "[ . 1 . 2]" 1
903 1 135 HIS H 1 135 HIS HB3 3.520 . 4.120 3.597 3.436 3.765 . 0 0 "[ . 1 . 2]" 1
904 1 135 HIS H 1 135 HIS HD2 5.500 . 6.100 2.860 2.338 3.238 . 0 0 "[ . 1 . 2]" 1
905 1 135 HIS HA 1 136 ILE H 2.400 . 3.000 2.284 2.085 2.452 . 0 0 "[ . 1 . 2]" 1
906 1 135 HIS QB 1 136 ILE H 3.200 . 3.800 3.086 2.811 3.400 . 0 0 "[ . 1 . 2]" 1
907 1 135 HIS HB2 1 136 ILE H 3.860 . 4.460 4.094 3.830 4.340 . 0 0 "[ . 1 . 2]" 1
908 1 135 HIS HB3 1 136 ILE H 3.860 . 4.460 3.195 2.892 3.563 . 0 0 "[ . 1 . 2]" 1
909 1 136 ILE H 1 136 ILE HB 2.680 . 3.280 2.772 2.529 2.970 . 0 0 "[ . 1 . 2]" 1
910 1 136 ILE H 1 136 ILE MD 5.440 . 6.040 3.906 2.669 4.258 . 0 0 "[ . 1 . 2]" 1
911 1 136 ILE H 1 136 ILE QG 3.290 . 3.890 2.988 2.644 3.677 . 0 0 "[ . 1 . 2]" 1
912 1 136 ILE HA 1 136 ILE MD 3.730 . 4.330 2.940 2.199 3.979 . 0 0 "[ . 1 . 2]" 1
913 1 136 ILE HA 1 137 TYR H 2.400 . 3.000 2.284 2.123 2.433 . 0 0 "[ . 1 . 2]" 1
914 1 136 ILE HB 1 137 TYR H 3.830 . 4.430 4.195 3.969 4.397 . 0 0 "[ . 1 . 2]" 1
915 1 136 ILE MD 1 137 TYR H 5.030 . 5.630 4.557 3.757 5.538 . 0 0 "[ . 1 . 2]" 1
916 1 136 ILE QG 1 137 TYR H 5.110 . 5.710 4.570 4.147 4.832 . 0 0 "[ . 1 . 2]" 1
917 1 136 ILE QG 1 148 ILE MD 4.470 . 5.070 5.033 2.488 5.913 0.843 5 5 "[ ** + *- . 2]" 1
918 1 136 ILE MG 1 137 TYR H 4.070 . 4.670 2.856 2.641 3.181 . 0 0 "[ . 1 . 2]" 1
919 1 137 TYR H 1 137 TYR HB2 2.620 . 3.220 2.672 2.414 2.999 . 0 0 "[ . 1 . 2]" 1
920 1 137 TYR H 1 137 TYR HB3 2.620 . 3.220 2.478 2.262 2.597 . 0 0 "[ . 1 . 2]" 1
921 1 137 TYR HA 1 138 ILE H 2.400 . 3.000 2.198 1.989 2.322 . 0 0 "[ . 1 . 2]" 1
922 1 137 TYR QB 1 138 ILE H 4.020 . 4.620 3.664 3.449 3.800 . 0 0 "[ . 1 . 2]" 1
923 1 137 TYR QD 1 138 ILE H 7.630 . 8.230 3.361 2.891 3.683 . 0 0 "[ . 1 . 2]" 1
924 1 138 ILE H 1 138 ILE HB 2.710 . 3.310 2.601 2.319 2.830 . 0 0 "[ . 1 . 2]" 1
925 1 138 ILE H 1 138 ILE MD 5.220 . 5.820 3.828 3.379 4.334 . 0 0 "[ . 1 . 2]" 1
926 1 138 ILE H 1 138 ILE QG 3.110 . 3.710 2.739 2.426 2.992 . 0 0 "[ . 1 . 2]" 1
927 1 138 ILE HA 1 138 ILE MD 4.230 . 4.830 2.714 2.256 3.945 . 0 0 "[ . 1 . 2]" 1
928 1 138 ILE HA 1 138 ILE QG 3.220 . 3.820 2.828 2.179 3.079 . 0 0 "[ . 1 . 2]" 1
929 1 139 PRO HA 1 140 GLU H 2.430 . 3.030 2.187 1.911 2.359 . 0 0 "[ . 1 . 2]" 1
930 1 139 PRO QB 1 140 GLU H 3.450 . 4.050 2.903 2.535 3.297 . 0 0 "[ . 1 . 2]" 1
931 1 140 GLU H 1 140 GLU HB2 2.680 . 3.280 2.633 2.037 3.341 0.061 2 0 "[ . 1 . 2]" 1
932 1 140 GLU H 1 140 GLU QB 2.280 . 2.880 2.377 2.018 2.808 . 0 0 "[ . 1 . 2]" 1
933 1 140 GLU H 1 140 GLU HB3 2.680 . 3.280 2.816 2.478 3.345 0.065 7 0 "[ . 1 . 2]" 1
934 1 140 GLU H 1 141 ASP H 3.300 . 3.900 2.928 2.058 3.979 0.079 10 0 "[ . 1 . 2]" 1
935 1 141 ASP H 1 141 ASP HA 2.710 . 3.310 2.789 2.701 2.874 . 0 0 "[ . 1 . 2]" 1
936 1 141 ASP H 1 141 ASP HB2 3.520 . 4.120 3.589 3.419 3.759 . 0 0 "[ . 1 . 2]" 1
937 1 141 ASP H 1 141 ASP HB3 2.620 . 3.220 2.593 2.302 2.967 . 0 0 "[ . 1 . 2]" 1
938 1 141 ASP H 1 142 ARG H 2.650 . 3.250 2.584 2.139 2.949 . 0 0 "[ . 1 . 2]" 1
939 1 141 ASP HA 1 141 ASP HB2 2.620 . 3.220 2.391 2.235 2.471 . 0 0 "[ . 1 . 2]" 1
940 1 141 ASP HA 1 141 ASP HB3 2.490 . 3.090 2.453 2.377 2.527 . 0 0 "[ . 1 . 2]" 1
941 1 141 ASP HB3 1 142 ARG H 3.860 . 4.460 4.107 3.753 4.393 . 0 0 "[ . 1 . 2]" 1
942 1 142 ARG H 1 142 ARG HB2 3.730 . 4.330 3.059 2.536 3.911 . 0 0 "[ . 1 . 2]" 1
943 1 142 ARG H 1 142 ARG HB3 3.730 . 4.330 3.634 3.203 3.878 . 0 0 "[ . 1 . 2]" 1
944 1 142 ARG H 1 143 LEU H 4.380 . 4.980 4.397 4.262 4.543 . 0 0 "[ . 1 . 2]" 1
945 1 142 ARG HA 1 142 ARG HB2 2.830 . 3.430 2.765 2.329 2.977 . 0 0 "[ . 1 . 2]" 1
946 1 142 ARG HA 1 142 ARG QB 2.430 . 3.030 2.276 2.073 2.416 . 0 0 "[ . 1 . 2]" 1
947 1 142 ARG HA 1 142 ARG HB3 2.830 . 3.430 2.434 2.314 2.555 . 0 0 "[ . 1 . 2]" 1
948 1 142 ARG HA 1 143 LEU H 3.520 . 4.120 2.458 2.249 2.727 . 0 0 "[ . 1 . 2]" 1
949 1 142 ARG QB 1 143 LEU H 2.460 . 3.060 2.486 1.978 2.824 . 0 0 "[ . 1 . 2]" 1
950 1 142 ARG HB2 1 143 LEU H 3.210 . 3.810 3.278 2.296 3.878 0.068 4 0 "[ . 1 . 2]" 1
951 1 142 ARG HB3 1 143 LEU H 3.210 . 3.810 2.900 1.998 3.918 0.108 16 0 "[ . 1 . 2]" 1
952 1 143 LEU H 1 143 LEU QB 2.710 . 3.310 2.466 2.153 2.920 . 0 0 "[ . 1 . 2]" 1
953 1 143 LEU H 1 143 LEU MD1 5.000 . 5.600 3.307 2.324 4.268 . 0 0 "[ . 1 . 2]" 1
954 1 143 LEU H 1 143 LEU MD2 5.000 . 5.600 3.360 1.823 4.621 . 0 0 "[ . 1 . 2]" 1
955 1 143 LEU HA 1 170 VAL HB 3.210 . 3.810 3.971 3.707 4.251 0.441 13 0 "[ . 1 . 2]" 1
956 1 143 LEU HB2 1 144 GLY H 4.230 . 4.830 3.607 2.742 4.272 . 0 0 "[ . 1 . 2]" 1
957 1 143 LEU HB3 1 144 GLY H 4.230 . 4.830 3.474 2.524 4.245 . 0 0 "[ . 1 . 2]" 1
958 1 143 LEU QD 1 144 GLY H 4.290 . 4.890 4.108 3.357 4.422 . 0 0 "[ . 1 . 2]" 1
959 1 143 LEU MD1 1 144 GLY H 5.190 . 5.790 4.703 4.086 5.085 . 0 0 "[ . 1 . 2]" 1
960 1 143 LEU MD1 1 172 LYS H 6.520 . 7.120 6.467 5.237 7.374 0.254 3 0 "[ . 1 . 2]" 1
961 1 143 LEU MD2 1 144 GLY H 5.190 . 5.790 4.596 3.444 5.012 . 0 0 "[ . 1 . 2]" 1
962 1 143 LEU MD2 1 172 LYS H 6.520 . 7.120 6.970 5.421 7.483 0.363 8 0 "[ . 1 . 2]" 1
963 1 143 LEU HG 1 144 GLY H 4.480 . 5.080 4.191 3.416 5.074 . 0 0 "[ . 1 . 2]" 1
964 1 144 GLY H 1 169 LEU H 3.790 . 4.390 3.341 2.952 3.981 . 0 0 "[ . 1 . 2]" 1
965 1 144 GLY H 1 169 LEU QB 4.910 . 5.510 3.962 3.406 4.464 . 0 0 "[ . 1 . 2]" 1
966 1 144 GLY H 1 170 VAL HA 3.360 . 3.960 3.269 2.853 3.571 . 0 0 "[ . 1 . 2]" 1
967 1 144 GLY QA 1 145 TYR H 2.970 . 3.570 2.192 1.934 2.337 . 0 0 "[ . 1 . 2]" 1
968 1 145 TYR H 1 145 TYR HB2 3.330 . 3.930 3.320 2.701 3.805 . 0 0 "[ . 1 . 2]" 1
969 1 145 TYR H 1 145 TYR HB3 3.330 . 3.930 2.369 1.912 3.089 . 0 0 "[ . 1 . 2]" 1
970 1 145 TYR HA 1 146 HIS H 2.490 . 3.090 2.181 2.023 2.335 . 0 0 "[ . 1 . 2]" 1
971 1 145 TYR HA 1 169 LEU H 3.760 . 4.360 3.228 2.807 3.701 . 0 0 "[ . 1 . 2]" 1
972 1 145 TYR QB 1 146 HIS H 3.610 . 4.210 3.087 2.315 3.627 . 0 0 "[ . 1 . 2]" 1
973 1 145 TYR QB 1 168 ASP HA 3.170 . 3.770 3.190 2.215 3.998 0.228 9 0 "[ . 1 . 2]" 1
974 1 145 TYR HB2 1 146 HIS H 4.140 . 4.740 3.226 2.341 3.907 . 0 0 "[ . 1 . 2]" 1
975 1 145 TYR HB3 1 146 HIS H 4.140 . 4.740 4.077 3.646 4.390 . 0 0 "[ . 1 . 2]" 1
976 1 145 TYR QD 1 168 ASP QB 4.520 . 5.120 4.829 3.863 5.444 0.324 4 0 "[ . 1 . 2]" 1
977 1 145 TYR QE 1 147 VAL QG 6.530 . 7.130 3.023 2.037 5.392 . 0 0 "[ . 1 . 2]" 1
978 1 146 HIS H 1 146 HIS QB 3.530 . 4.130 2.897 2.374 3.287 . 0 0 "[ . 1 . 2]" 1
979 1 146 HIS H 1 167 VAL H 4.850 . 5.450 3.322 2.823 4.285 . 0 0 "[ . 1 . 2]" 1
980 1 146 HIS H 1 167 VAL QG 4.770 . 5.370 3.060 2.634 4.565 . 0 0 "[ . 1 . 2]" 1
981 1 146 HIS H 1 168 ASP HA 3.700 . 4.300 3.584 2.917 4.342 0.042 8 0 "[ . 1 . 2]" 1
982 1 146 HIS HA 1 147 VAL H 2.800 . 3.400 2.488 2.287 2.661 . 0 0 "[ . 1 . 2]" 1
983 1 146 HIS QB 1 147 VAL H 2.850 . 3.450 2.651 2.337 3.524 0.074 17 0 "[ . 1 . 2]" 1
984 1 147 VAL H 1 147 VAL HB 3.210 . 3.810 2.750 2.440 3.658 . 0 0 "[ . 1 . 2]" 1
985 1 147 VAL H 1 147 VAL QG 4.060 . 4.660 2.439 1.907 2.874 . 0 0 "[ . 1 . 2]" 1
986 1 147 VAL HA 1 148 ILE H 2.430 . 3.030 2.323 2.091 2.434 . 0 0 "[ . 1 . 2]" 1
987 1 147 VAL HA 1 166 ASP HA 3.730 . 4.330 2.487 2.112 2.991 . 0 0 "[ . 1 . 2]" 1
988 1 147 VAL HA 1 167 VAL H 3.580 . 4.180 3.068 2.718 3.479 . 0 0 "[ . 1 . 2]" 1
989 1 147 VAL QG 1 166 ASP HA 3.650 . 4.250 2.619 2.214 3.153 . 0 0 "[ . 1 . 2]" 1
990 1 148 ILE H 1 148 ILE HB 2.650 . 3.250 2.618 2.302 2.749 . 0 0 "[ . 1 . 2]" 1
991 1 148 ILE H 1 148 ILE MG 4.010 . 4.610 3.867 3.788 3.941 . 0 0 "[ . 1 . 2]" 1
992 1 148 ILE H 1 165 ILE H 3.360 . 3.960 3.097 2.709 3.566 . 0 0 "[ . 1 . 2]" 1
993 1 148 ILE HA 1 149 LEU H 2.400 . 3.000 2.304 2.102 2.445 . 0 0 "[ . 1 . 2]" 1
994 1 148 ILE HB 1 148 ILE MD 3.420 . 4.020 2.448 2.303 2.799 . 0 0 "[ . 1 . 2]" 1
995 1 148 ILE HB 1 149 LEU H 4.010 . 4.610 4.121 3.969 4.389 . 0 0 "[ . 1 . 2]" 1
996 1 148 ILE HB 1 165 ILE H 3.670 . 4.270 3.567 2.846 4.223 . 0 0 "[ . 1 . 2]" 1
997 1 148 ILE MG 1 149 LEU H 4.220 . 4.820 2.730 2.448 3.094 . 0 0 "[ . 1 . 2]" 1
998 1 148 ILE MG 1 165 ILE H 4.530 . 5.130 4.336 3.863 4.860 . 0 0 "[ . 1 . 2]" 1
999 1 149 LEU H 1 149 LEU HB2 3.830 . 4.430 2.567 2.317 2.875 . 0 0 "[ . 1 . 2]" 1
1000 1 149 LEU H 1 149 LEU QB 3.250 . 3.850 2.490 2.263 2.785 . 0 0 "[ . 1 . 2]" 1
1001 1 149 LEU H 1 149 LEU HB3 3.830 . 4.430 3.522 2.416 3.739 . 0 0 "[ . 1 . 2]" 1
1002 1 149 LEU HA 1 149 LEU QD 3.740 . 4.340 2.786 2.198 3.204 . 0 0 "[ . 1 . 2]" 1
1003 1 149 LEU HA 1 164 VAL HA 4.480 . 5.080 2.626 2.288 2.930 . 0 0 "[ . 1 . 2]" 1
1004 1 149 LEU HA 1 164 VAL HB 3.700 . 4.300 3.799 3.059 4.467 0.167 11 0 "[ . 1 . 2]" 1
1005 1 149 LEU HA 1 165 ILE H 3.670 . 4.270 3.677 3.303 4.136 . 0 0 "[ . 1 . 2]" 1
1006 1 149 LEU QB 1 150 ALA H 3.380 . 3.980 2.948 2.597 3.767 . 0 0 "[ . 1 . 2]" 1
1007 1 149 LEU QD 1 150 ALA H 4.170 . 4.770 3.854 2.385 4.343 . 0 0 "[ . 1 . 2]" 1
1008 1 150 ALA H 1 150 ALA HA 2.800 . 3.400 2.870 2.783 2.933 . 0 0 "[ . 1 . 2]" 1
1009 1 150 ALA H 1 163 GLN H 3.140 . 3.740 2.939 2.626 3.226 . 0 0 "[ . 1 . 2]" 1
1010 1 150 ALA H 1 163 GLN HB3 4.970 . 5.570 5.041 3.265 5.789 0.219 20 0 "[ . 1 . 2]" 1
1011 1 150 ALA H 1 164 VAL HA 3.050 . 3.650 3.528 3.121 3.822 0.172 13 0 "[ . 1 . 2]" 1
1012 1 150 ALA H 1 164 VAL QG 4.020 . 4.620 4.073 3.125 4.885 0.265 13 0 "[ . 1 . 2]" 1
1013 1 150 ALA HA 1 151 VAL H 2.460 . 3.060 2.275 2.070 2.493 . 0 0 "[ . 1 . 2]" 1
1014 1 150 ALA MB 1 151 VAL H 4.570 . 5.170 2.759 2.414 3.323 . 0 0 "[ . 1 . 2]" 1
1015 1 150 ALA MB 1 163 GLN H 4.840 . 5.440 3.395 2.280 4.159 . 0 0 "[ . 1 . 2]" 1
1016 1 151 VAL H 1 151 VAL HB 3.050 . 3.650 2.773 2.556 3.074 . 0 0 "[ . 1 . 2]" 1
1017 1 151 VAL H 1 151 VAL QG 3.710 . 4.310 2.819 2.622 3.014 . 0 0 "[ . 1 . 2]" 1
1018 1 151 VAL HA 1 152 TRP H 2.680 . 3.280 2.263 2.115 2.400 . 0 0 "[ . 1 . 2]" 1
1019 1 151 VAL HA 1 162 TYR HA 2.400 . 3.000 2.561 2.146 3.070 0.070 10 0 "[ . 1 . 2]" 1
1020 1 151 VAL HA 1 163 GLN H 3.580 . 4.180 3.829 3.320 4.317 0.137 10 0 "[ . 1 . 2]" 1
1021 1 151 VAL QG 1 152 TRP H 4.140 . 4.740 2.634 2.443 3.057 . 0 0 "[ . 1 . 2]" 1
1022 1 151 VAL QG 1 162 TYR QD 6.300 . 6.900 2.924 1.947 4.237 . 0 0 "[ . 1 . 2]" 1
1023 1 151 VAL QG 1 162 TYR QE 5.450 . 6.050 3.593 2.000 5.719 . 0 0 "[ . 1 . 2]" 1
1024 1 151 VAL QG 1 163 GLN H 4.020 . 4.620 4.033 3.561 4.445 . 0 0 "[ . 1 . 2]" 1
1025 1 151 VAL MG1 1 162 TYR QD 7.190 . 7.790 3.728 2.382 5.050 . 0 0 "[ . 1 . 2]" 1
1026 1 151 VAL MG1 1 162 TYR QE 6.270 . 6.870 4.242 2.016 6.764 . 0 0 "[ . 1 . 2]" 1
1027 1 151 VAL MG2 1 162 TYR QD 7.190 . 7.790 3.131 1.975 4.765 . 0 0 "[ . 1 . 2]" 1
1028 1 151 VAL MG2 1 162 TYR QE 6.270 . 6.870 4.001 2.478 6.500 . 0 0 "[ . 1 . 2]" 1
1029 1 152 TRP H 1 152 TRP HB2 3.300 . 3.900 2.748 2.119 3.239 . 0 0 "[ . 1 . 2]" 1
1030 1 152 TRP H 1 152 TRP QB 2.660 . 3.260 2.427 2.079 2.674 . 0 0 "[ . 1 . 2]" 1
1031 1 152 TRP H 1 152 TRP HB3 3.300 . 3.900 2.891 2.236 3.565 . 0 0 "[ . 1 . 2]" 1
1032 1 152 TRP H 1 161 PHE H 3.170 . 3.770 3.279 2.828 3.708 . 0 0 "[ . 1 . 2]" 1
1033 1 152 TRP H 1 161 PHE QB 5.340 . 5.940 3.422 2.428 4.410 . 0 0 "[ . 1 . 2]" 1
1034 1 152 TRP H 1 162 TYR HA 3.550 . 4.150 3.489 2.841 4.048 . 0 0 "[ . 1 . 2]" 1
1035 1 152 TRP HA 1 153 ASP H 2.590 . 3.190 2.187 2.038 2.415 . 0 0 "[ . 1 . 2]" 1
1036 1 153 ASP H 1 153 ASP HB2 3.270 . 3.870 2.505 2.247 2.969 . 0 0 "[ . 1 . 2]" 1
1037 1 153 ASP H 1 153 ASP HB3 3.270 . 3.870 3.225 2.481 3.665 . 0 0 "[ . 1 . 2]" 1
1038 1 153 ASP HA 1 154 VAL H 2.400 . 3.000 2.271 2.101 2.544 . 0 0 "[ . 1 . 2]" 1
1039 1 153 ASP HA 1 160 ALA HA 3.830 . 4.430 3.392 2.496 4.126 . 0 0 "[ . 1 . 2]" 1
1040 1 153 ASP HA 1 160 ALA MB 3.420 . 4.020 2.851 1.955 4.318 0.298 19 0 "[ . 1 . 2]" 1
1041 1 153 ASP HA 1 161 PHE H 4.010 . 4.610 3.869 3.376 4.409 . 0 0 "[ . 1 . 2]" 1
1042 1 153 ASP QB 1 154 VAL H 4.240 . 4.840 3.327 2.764 3.984 . 0 0 "[ . 1 . 2]" 1
1043 1 153 ASP HB2 1 154 VAL H 4.880 . 5.480 4.184 3.943 4.574 . 0 0 "[ . 1 . 2]" 1
1044 1 153 ASP HB3 1 154 VAL H 4.880 . 5.480 3.541 2.819 4.385 . 0 0 "[ . 1 . 2]" 1
1045 1 154 VAL H 1 154 VAL HB 2.830 . 3.430 2.734 2.295 3.799 0.369 14 0 "[ . 1 . 2]" 1
1046 1 154 VAL H 1 160 ALA HA 3.330 . 3.930 3.298 2.240 4.213 0.283 19 0 "[ . 1 . 2]" 1
1047 1 154 VAL H 1 160 ALA MB 5.250 . 5.850 3.604 2.186 5.093 . 0 0 "[ . 1 . 2]" 1
1048 1 154 VAL HA 1 155 ALA H 2.650 . 3.250 2.215 2.006 2.415 . 0 0 "[ . 1 . 2]" 1
1049 1 154 VAL QG 1 155 ALA H 4.540 . 5.140 2.864 2.432 3.288 . 0 0 "[ . 1 . 2]" 1
1050 1 154 VAL QG 1 156 ASP H 4.230 . 4.830 2.263 1.941 2.584 . 0 0 "[ . 1 . 2]" 1
1051 1 154 VAL QG 1 157 THR H 4.470 . 5.070 2.673 2.191 3.695 . 0 0 "[ . 1 . 2]" 1
1052 1 155 ALA H 1 156 ASP H 3.020 . 3.620 2.478 2.176 3.022 . 0 0 "[ . 1 . 2]" 1
1053 1 155 ALA HA 1 156 ASP H 2.960 . 3.560 3.354 3.187 3.516 . 0 0 "[ . 1 . 2]" 1
1054 1 155 ALA HA 1 157 THR H 3.580 . 4.180 3.764 3.362 4.304 0.124 14 0 "[ . 1 . 2]" 1
1055 1 155 ALA MB 1 156 ASP H 3.880 . 4.480 2.935 2.553 3.229 . 0 0 "[ . 1 . 2]" 1
1056 1 156 ASP H 1 156 ASP HA 2.830 . 3.430 2.763 2.665 2.856 . 0 0 "[ . 1 . 2]" 1
1057 1 156 ASP H 1 156 ASP HB2 3.450 . 4.050 2.562 1.980 3.734 . 0 0 "[ . 1 . 2]" 1
1058 1 156 ASP H 1 156 ASP HB3 3.450 . 4.050 3.190 2.461 3.579 . 0 0 "[ . 1 . 2]" 1
1059 1 156 ASP H 1 157 THR H 2.590 . 3.190 2.629 2.395 2.952 . 0 0 "[ . 1 . 2]" 1
1060 1 156 ASP HA 1 157 THR H 3.300 . 3.900 3.279 3.073 3.429 . 0 0 "[ . 1 . 2]" 1
1061 1 156 ASP QB 1 157 THR H 3.740 . 4.340 3.131 2.738 3.885 . 0 0 "[ . 1 . 2]" 1
1062 1 157 THR H 1 157 THR HA 2.860 . 3.460 2.860 2.777 2.957 . 0 0 "[ . 1 . 2]" 1
1063 1 157 THR H 1 157 THR HB 3.580 . 4.180 3.679 3.257 4.019 . 0 0 "[ . 1 . 2]" 1
1064 1 157 THR H 1 157 THR MG 3.910 . 4.510 2.831 2.143 3.233 . 0 0 "[ . 1 . 2]" 1
1065 1 157 THR HA 1 157 THR HB 2.400 . 3.000 2.450 2.201 2.640 . 0 0 "[ . 1 . 2]" 1
1066 1 157 THR HA 1 157 THR MG 3.420 . 4.020 2.599 2.243 3.223 . 0 0 "[ . 1 . 2]" 1
1067 1 157 THR HA 1 158 GLU H 2.830 . 3.430 2.445 2.201 2.753 . 0 0 "[ . 1 . 2]" 1
1068 1 157 THR HA 1 159 ASN H 4.110 . 4.710 4.039 3.670 4.562 . 0 0 "[ . 1 . 2]" 1
1069 1 157 THR MG 1 158 GLU H 5.090 . 5.690 3.765 3.445 4.000 . 0 0 "[ . 1 . 2]" 1
1070 1 158 GLU H 1 158 GLU HA 2.830 . 3.430 2.822 2.687 2.933 . 0 0 "[ . 1 . 2]" 1
1071 1 158 GLU H 1 158 GLU HB2 2.770 . 3.370 2.358 1.966 2.615 . 0 0 "[ . 1 . 2]" 1
1072 1 158 GLU H 1 158 GLU HB3 3.050 . 3.650 3.003 2.382 3.649 . 0 0 "[ . 1 . 2]" 1
1073 1 158 GLU H 1 159 ASN H 2.930 . 3.530 2.432 1.918 2.856 . 0 0 "[ . 1 . 2]" 1
1074 1 158 GLU HA 1 159 ASN H 3.330 . 3.930 3.369 3.105 3.534 . 0 0 "[ . 1 . 2]" 1
1075 1 158 GLU HB2 1 159 ASN H 3.450 . 4.050 3.532 2.683 4.210 0.160 9 0 "[ . 1 . 2]" 1
1076 1 158 GLU HB3 1 159 ASN H 3.110 . 3.710 3.351 2.509 3.934 0.224 6 0 "[ . 1 . 2]" 1
1077 1 159 ASN H 1 159 ASN QB 3.350 . 3.950 2.352 2.031 2.491 . 0 0 "[ . 1 . 2]" 1
1078 1 159 ASN HA 1 160 ALA H 2.590 . 3.190 2.363 2.180 2.633 . 0 0 "[ . 1 . 2]" 1
1079 1 159 ASN QB 1 160 ALA H 2.720 . 3.320 2.516 2.203 2.794 . 0 0 "[ . 1 . 2]" 1
1080 1 159 ASN HB2 1 160 ALA H 3.170 . 3.770 3.709 3.532 3.897 0.127 4 0 "[ . 1 . 2]" 1
1081 1 159 ASN HB3 1 160 ALA H 3.170 . 3.770 2.561 2.223 2.869 . 0 0 "[ . 1 . 2]" 1
1082 1 160 ALA HA 1 161 PHE H 2.520 . 3.120 2.442 2.260 2.674 . 0 0 "[ . 1 . 2]" 1
1083 1 160 ALA MB 1 161 PHE H 4.070 . 4.670 2.601 2.227 2.982 . 0 0 "[ . 1 . 2]" 1
1084 1 160 ALA MB 1 162 TYR QD 8.650 . 9.250 4.261 2.712 5.673 . 0 0 "[ . 1 . 2]" 1
1085 1 160 ALA MB 1 162 TYR QE 6.020 . 6.620 4.302 2.184 7.363 0.743 17 1 "[ . 1 . + 2]" 1
1086 1 161 PHE H 1 161 PHE HB2 3.330 . 3.930 2.569 2.233 3.105 . 0 0 "[ . 1 . 2]" 1
1087 1 161 PHE H 1 161 PHE QB 2.910 . 3.510 2.440 2.207 2.775 . 0 0 "[ . 1 . 2]" 1
1088 1 161 PHE H 1 161 PHE HB3 3.330 . 3.930 3.422 2.350 3.762 . 0 0 "[ . 1 . 2]" 1
1089 1 161 PHE HA 1 162 TYR H 2.620 . 3.220 2.305 2.105 2.615 . 0 0 "[ . 1 . 2]" 1
1090 1 162 TYR H 1 162 TYR HB2 3.890 . 4.490 3.104 2.423 3.913 . 0 0 "[ . 1 . 2]" 1
1091 1 162 TYR H 1 162 TYR QB 3.250 . 3.850 2.765 2.386 3.183 . 0 0 "[ . 1 . 2]" 1
1092 1 162 TYR H 1 162 TYR HB3 3.890 . 4.490 3.454 2.627 3.809 . 0 0 "[ . 1 . 2]" 1
1093 1 162 TYR HA 1 162 TYR QB 2.550 . 3.150 2.233 2.070 2.389 . 0 0 "[ . 1 . 2]" 1
1094 1 162 TYR HA 1 163 GLN H 2.590 . 3.190 2.402 2.214 2.724 . 0 0 "[ . 1 . 2]" 1
1095 1 162 TYR QB 1 163 GLN H 3.420 . 4.020 2.866 2.483 3.818 . 0 0 "[ . 1 . 2]" 1
1096 1 162 TYR HB2 1 163 GLN H 4.140 . 4.740 3.522 2.514 4.343 . 0 0 "[ . 1 . 2]" 1
1097 1 162 TYR HB3 1 163 GLN H 4.140 . 4.740 3.378 2.607 4.293 . 0 0 "[ . 1 . 2]" 1
1098 1 162 TYR QD 1 163 GLN H 7.630 . 8.230 3.941 3.212 4.618 . 0 0 "[ . 1 . 2]" 1
1099 1 163 GLN H 1 163 GLN HB3 3.390 . 3.990 3.440 2.685 3.830 . 0 0 "[ . 1 . 2]" 1
1100 1 163 GLN HA 1 163 GLN HB2 2.620 . 3.220 2.560 2.328 2.947 . 0 0 "[ . 1 . 2]" 1
1101 1 163 GLN HA 1 163 GLN HB3 2.550 . 3.150 2.420 2.180 2.939 . 0 0 "[ . 1 . 2]" 1
1102 1 163 GLN HA 1 164 VAL H 2.860 . 3.460 2.395 2.224 2.611 . 0 0 "[ . 1 . 2]" 1
1103 1 164 VAL HA 1 165 ILE H 2.900 . 3.500 2.276 2.086 2.467 . 0 0 "[ . 1 . 2]" 1
1104 1 165 ILE H 1 165 ILE HB 3.020 . 3.620 2.856 2.681 3.449 . 0 0 "[ . 1 . 2]" 1
1105 1 165 ILE H 1 165 ILE QG 4.850 . 5.450 2.940 2.468 3.244 . 0 0 "[ . 1 . 2]" 1
1106 1 165 ILE H 1 165 ILE MG 4.190 . 4.790 3.942 3.826 4.076 . 0 0 "[ . 1 . 2]" 1
1107 1 165 ILE HA 1 165 ILE MD 3.760 . 4.360 3.712 2.251 4.053 . 0 0 "[ . 1 . 2]" 1
1108 1 165 ILE HA 1 166 ASP H 2.740 . 3.340 2.280 2.078 2.529 . 0 0 "[ . 1 . 2]" 1
1109 1 165 ILE MG 1 166 ASP H 6.520 . 7.120 2.821 2.415 3.375 . 0 0 "[ . 1 . 2]" 1
1110 1 166 ASP HA 1 167 VAL H 3.050 . 3.650 2.312 2.048 2.444 . 0 0 "[ . 1 . 2]" 1
1111 1 166 ASP QB 1 167 VAL H 3.630 . 4.230 3.584 2.421 3.868 . 0 0 "[ . 1 . 2]" 1
1112 1 167 VAL HA 1 167 VAL HB 2.740 . 3.340 2.540 2.361 2.891 . 0 0 "[ . 1 . 2]" 1
1113 1 167 VAL HA 1 168 ASP H 2.400 . 3.000 2.326 1.945 2.532 . 0 0 "[ . 1 . 2]" 1
1114 1 167 VAL HB 1 168 ASP H 2.680 . 3.280 2.750 2.353 3.552 0.272 12 0 "[ . 1 . 2]" 1
1115 1 167 VAL QG 1 168 ASP H 4.770 . 5.370 3.230 2.482 3.553 . 0 0 "[ . 1 . 2]" 1
1116 1 168 ASP H 1 168 ASP HB2 2.990 . 3.590 2.949 2.420 3.265 . 0 0 "[ . 1 . 2]" 1
1117 1 168 ASP H 1 168 ASP QB 2.600 . 3.200 2.448 2.189 2.657 . 0 0 "[ . 1 . 2]" 1
1118 1 168 ASP H 1 168 ASP HB3 2.990 . 3.590 2.627 2.379 2.855 . 0 0 "[ . 1 . 2]" 1
1119 1 168 ASP HA 1 169 LEU H 2.400 . 3.000 2.289 2.157 2.395 . 0 0 "[ . 1 . 2]" 1
1120 1 169 LEU H 1 169 LEU HB2 3.670 . 4.270 2.490 2.139 2.741 . 0 0 "[ . 1 . 2]" 1
1121 1 169 LEU H 1 169 LEU HB3 3.670 . 4.270 3.591 3.354 3.776 . 0 0 "[ . 1 . 2]" 1
1122 1 169 LEU H 1 169 LEU MD1 5.090 . 5.690 3.865 3.235 4.271 . 0 0 "[ . 1 . 2]" 1
1123 1 169 LEU H 1 169 LEU QD 4.310 . 4.910 3.345 1.862 3.761 . 0 0 "[ . 1 . 2]" 1
1124 1 169 LEU H 1 169 LEU MD2 5.090 . 5.690 3.734 1.873 4.450 . 0 0 "[ . 1 . 2]" 1
1125 1 169 LEU H 1 169 LEU HG 3.050 . 3.650 2.989 2.449 3.699 0.049 18 0 "[ . 1 . 2]" 1
1126 1 169 LEU HA 1 170 VAL H 2.400 . 3.000 2.223 2.048 2.412 . 0 0 "[ . 1 . 2]" 1
1127 1 169 LEU QB 1 170 VAL H 4.230 . 4.830 3.289 3.049 3.660 . 0 0 "[ . 1 . 2]" 1
1128 1 169 LEU QD 1 170 VAL H 4.140 . 4.740 3.718 3.134 4.086 . 0 0 "[ . 1 . 2]" 1
1129 1 170 VAL H 1 170 VAL HA 2.770 . 3.370 2.862 2.777 2.957 . 0 0 "[ . 1 . 2]" 1
1130 1 170 VAL HA 1 170 VAL HB 2.400 . 3.000 2.461 2.277 2.616 . 0 0 "[ . 1 . 2]" 1
1131 1 170 VAL HA 1 170 VAL MG1 3.420 . 4.020 2.460 2.313 2.609 . 0 0 "[ . 1 . 2]" 1
1132 1 170 VAL HA 1 170 VAL MG2 3.420 . 4.020 3.186 3.135 3.255 . 0 0 "[ . 1 . 2]" 1
1133 1 170 VAL HB 1 171 ASN H 2.400 . 3.000 2.407 1.883 2.782 . 0 0 "[ . 1 . 2]" 1
1134 1 170 VAL QG 1 171 ASN H 3.680 . 4.280 3.134 2.842 3.352 . 0 0 "[ . 1 . 2]" 1
1135 1 171 ASN H 1 171 ASN HA 2.900 . 3.500 2.795 2.700 2.880 . 0 0 "[ . 1 . 2]" 1
1136 1 171 ASN H 1 171 ASN HB2 3.450 . 4.050 2.519 2.210 3.482 . 0 0 "[ . 1 . 2]" 1
1137 1 171 ASN H 1 171 ASN QB 3.000 . 3.600 2.287 2.025 2.481 . 0 0 "[ . 1 . 2]" 1
1138 1 171 ASN H 1 171 ASN HB3 3.450 . 4.050 2.963 2.143 3.631 . 0 0 "[ . 1 . 2]" 1
1139 1 171 ASN H 1 172 LYS H 5.500 . 6.100 4.615 4.525 4.791 . 0 0 "[ . 1 . 2]" 1
1140 1 171 ASN HA 1 172 LYS H 2.400 . 3.000 2.375 2.129 2.557 . 0 0 "[ . 1 . 2]" 1
1141 1 171 ASN HB2 1 172 LYS H 3.700 . 4.300 3.878 2.253 4.307 0.007 19 0 "[ . 1 . 2]" 1
1142 1 171 ASN HB3 1 172 LYS H 3.700 . 4.300 3.414 2.541 4.208 . 0 0 "[ . 1 . 2]" 1
1143 1 172 LYS H 1 172 LYS HA 2.620 . 3.220 2.769 2.682 2.849 . 0 0 "[ . 1 . 2]" 1
1144 1 172 LYS H 1 172 LYS HB3 2.710 . 3.310 2.825 2.335 3.589 0.279 6 0 "[ . 1 . 2]" 1
1145 1 172 LYS H 1 172 LYS QD 3.430 . 4.030 3.773 3.500 4.174 0.144 16 0 "[ . 1 . 2]" 1
1146 1 172 LYS HA 1 172 LYS HB2 2.740 . 3.340 2.524 2.251 2.935 . 0 0 "[ . 1 . 2]" 1
1147 1 172 LYS HA 1 172 LYS HB3 2.620 . 3.220 2.450 2.314 2.918 . 0 0 "[ . 1 . 2]" 1
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